EUROPEAN COMMISSION

New and Emerging Themes in Industrial

and Applied Mathematics

Final Report of the NEST SUPPORT project NETIAM

edited by
Melvin Brown and Robert Leese
Smith Institute

This report has been produced with thanks to

the participants of the NETIAM project.

Directorate-General for Research

Structuring the European Research Area
2005 Anticipation of Scientific and Technological Needs: Basic Research EUR 21797
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 N ETI A M M a n a g e m e n t Bo a r d

Ch a i r :

Hilary OCKENDON ( Universit y of Oxford)

M e m b e r s:

Melvin BROWN ( Sm it h I nst it ut e, UK), Proj ect Manager

Robert LEESE ( Sm it h I nst it ut e, UK) , Part ner and Proj ect Coordinat or
Robert MATTHEI J ( Technische Universit eit Eindhoven) , Part ner
Mario PRI MI CERI O ( Universit à degli St udi di Firenze) , Part ner
Andreas WI EGMANN ( Fraunhofer -I nst it ut für Techno- und
Wirt schaft sm at hem at ik) , Part ner
Aivars ZEMI TI S ( Vent spils Universit y College) , Part ner

Sci e n t i f i c A d v i so r

John OCKENDON ( Universit y of Oxford)

Ra p p o r t e u r s:

David ALLWRI GHT

Tim BOXER
Melvin BROWN
Robert LEESE
Heat her TEWKESBURY
( all of Sm it h I nst it ut e, UK)

Co m m i ssi o n :

Bernardus TUBBI NG ( Research DG, Brussels, Belgium )

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Ta b l e o f co n t e n t s

TA BLE OF CON TEN TS ......................................................................................................................4

EXECUTI VE SUM M A RY ....................................................................................................................5

MATHEMATI CS AND THE FORMULATI ON OF UNEXPLORED RESEARCH CHALLENGES ..............................5
FOUR KEY THEMES .................................................................................................................................5
STRATEGY: MATHEMATI CS , I NDUSTRY AND SOCI ETY I N EUROPE ........................................................5
TH E N ETI A M CON SORTI U M..........................................................................................................7

PROJECT OBJECTI VES A N D M A JOR A CH I EVEM EN T S.......................................................7

FOUR M ULTI D I SCI PLI N A RY TH EM ES......................................................................................9

MATHEMATI CAL MODELLI NG OF CRI MI NALI TY I N THE URBAN ENVI RONMENT ........................................9
NEW MULTI DI SCI PLI NARY CHALLENGES I N MODELLI NG THE BUSI NESS ENVI RONMENT ......................10
CHALLENGES I N VI SUALI ZATI ON , SI MULATI ON AND DESI GN FOR VI RTUAL POROUS MATERI ALS ........11
COMPLEXI TY I N MODELLI NG PROTEI NS AND I NTERFACES AT THE MOLECULAR LEVEL .........................13
OPPORTUN I TI ES FOR M A TH EM A TI CS I N MULTI D I SCI PLI N A RY RESEA RCH .....14

STRA TEGY: M A TH EM A TI CS, I N D USTRY A N D SOCI ETY I N EUROPE........................16

PLA N FOR USI N G A N D D I SSEM I N A TI N G KN OW LED GE................................................17

KNOWLEDGE DI SSEMI NATI ON .............................................................................................................17
RAI SI NG PUBLI C PARTI CI PATI ON AND AWARENESS ............................................................................17
N ETI A M REPORTS...........................................................................................................................19

A CKN OW LED GEM EN TS .................................................................................................................20

CON TA CT D ETA I LS .........................................................................................................................24

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EXECUTI VE SUM M A RY

M a t h e m a t i cs a n d t h e f o r m u l a t i o n o f u n e x p l o r e d r e se a r ch ch a l l e n g e s

The NETI AM proj ect has used m at hem at ics as a t ool t o int egrat e t he approaches of
science from m any disciplines. New t heoret ical and com put ing t echniques, and
collaborat ive form ulat ion of unexplored research challenges, enable m at hem at ics t o
play a vit al part in t he research process m uch earlier t han previously. This novel
proj ect has linked m ult idisciplinary t eam s under four t hem es covering com plex
problem s of sociology, econom ics, m anufact uring and nat ural sciences. The proj ect
has ident ified t hree underpinning m at hem at ical m et hodologies and eleven diverse
applicat ion areas for m ult idisciplinary research, and it has exam ined t he
infrast ruct ures t hat are required t o support such act ivit y.

The European int egrat ion of expert ise t hat has occurred in NETI AM has increased t he
pot ent ial for dissem inat ion and applicat ion of research result s by overcom ing exist ing
int ellect ual and adm inist rat ive fragm ent at ion. I n t ot al, 125 researchers of m any
different disciplines from 15 count ries have part icipat ed in t he workshops, and m any
hundreds m ore have been reached as part of t he proj ect ’s dissem inat ion init iat ives.
Through ongoing vision and well organised collaborat ion , t he NETI AM proj ect has
provided a benchm ark for t he use of m at hem at ics in t he form ulat ion of unexplored
m ult idisciplinary research challenges in a wide range of areas.

Fo u r k e y t h e m e s

NETI AM has five part icipat ing organisat ions, from five EU Mem ber St at es and is
coordinat ed by t he Sm it h I nst it ut e ( Unit ed Kingdom ). They have held t hem at ic
workshops on t he following areas:

• Mat hem at ical m odelling of crim inalit y in t he urban environm ent

• New m ult idisciplinary challenges in m odelling t he business environm ent
• Challenges in visualisat ion, sim ulat ion and design for virt ual porous m at erials
• Com plexit y in m odelling prot eins and int erfaces at t he m olecular level.

The t hem es were chosen by t he part ners for t heir challenging int erdisciplinarit y and
t heir em erging opport unit ies for using novel m at hem at ics. They have dem onst rat ed
how , by working at a European level, m at hem at ics can provide a com m on language
wit h which t o approach m ult idisciplinary research.

A fift h capst one workshop drew on t he work of t he t hem at ic workshops and proposed
an int egrat ed sum m ary of t opics, m et hodologies and consort ia for advent urous
research act ivit y. New m ult idisciplinary consort ia have since been form ed, wit h
m at hem at ics playing a cent ral role, and new proposals have been subm it t ed t o t he
NEST program m e 1 t o support research in t he underpinning t hem es.

St r a t e g y : M a t h e m a t i cs, i n d u st r y a n d so ci e t y i n Eu r o p e

Following it s five t hem at ically based workshops, t he NETI AM St rat egy m eet ing of
leading figures from m at hem at ics com m unit ies across Europe ident ified t he need for
sust ained act ivit y t o raise awareness and use of m at hem at ics, in indust ry,
governm ent , academ ic com m unit ies and in societ y generally at all levels. Under t he
t it le ‘Unleashing Mat hem at ics’, t he proj ect has est ablished a st rat egic init iat ive t o help
deploy t he power and flexibilit y of m at hem at ics for exploit ing opport unit ies for

1
NEST: New and Emerging Science and Technology, Framework Six Programme of the European
Commission.

5
innovat ion across a broad spect rum of indust ry and societ y. The use of m at hem at ics
will be a crucial elem ent in achieving t he European Union’s am bit ion t o becom e t he
world’s m ost dynam ic knowledge- based econom y.

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Th e N ETI A M Co n so r t i u m

The NETI AM consort ium part ners are:

Sm it h I nst it ut e for I ndust rial Mat hem at ics and Syst em Engineering, UK
Vent spils Universit y College, Lat via
Fraunhofer I nst it ut e für Techno- und Wirt schaft sm at hem at ik, Germ any
Technische Universit eit Eindhoven, Net herlands
Universit à degli St udi di Firenze, I t aly

Toget her, t he fiv e part ners repr esent a crit ical m ass t hat has allowed t he st rat egic
planning of int erdisciplinary m at hem at ical research on a scale never before seen in
Europe. They have brought t o NETI AM a com m on com m it m ent t o working on an
int erdisciplinary basis and a varied expert ise in m at hem at ical m odelling,
dem onst rat ed by ext ensive t rack records. Exist ing net works such as ECMI and
MACSI net had enabled t he part ners t o becom e fam iliar wit h each ot her's part icular
st rengt hs and collaborat ors, and hence t o fully realise t he pot ent ial of t he collect ive
st rat egic approach t o new and em erging areas t hat NETI AM has adopt ed. Moreover,
t he NETI AM workplan was const ruct ed so t hat all five part ners cont ribut ed t o t he
planning and report ing of all workshops, wit h represent at iv es of all part ners
part icipat ing in all workshops. These st eps m inim ized any risk t hat t he workshops
m ight becom e disconnect ed and m axim ized t he opport unit y for highlight ing com m on
m at hem at ical fram eworks across different workshop t hem es.

The st rat egic and m anagem ent leadership was provided by t he NETI AM Managem ent
Board which com prised:

§ Dr Hilary Ockendon ( Universit y of Oxford), Chair

§ Dr Melvin Brown ( Sm it h I nst it ut e) , Proj ect Manager
§ Dr Robert Leese ( Sm it h I nst it ut e) , Part ner and Proj ect Coordinat or
§ Prof Robert Mat t heij ( Technische Universit eit Eindhoven) , Part ner
§ Prof Mario Prim icerio ( Universit à degli St udi di Firenze) , Part ner
§ Dr Andreas Wiegm ann ( Fraunhofer -I nst it ut für Techno-
und Wirt schaft sm at hem at ik) , Part ner
§ Prof Aivars Zem it is ( Vent spils Universit y College) , Part ner

Pr o j e ct o b j e ct i v e s a n d m a j o r a ch i e v e m e n t s

The overall obj ect ives of NETI AM are:

• Ob j e ct i v e : t o raise t he role of m at hem at ics by ident ifying areas of high

advent ure and opport unit y t hat are prim e fut ure t opics for NEST, ot her part s
of FP6 and ot her research program m es, and t o provide advice t o m anagers of
research program m es on behalf of t he m at hem at ical com m unit y.

• Ob j e ct i v e : t o assem ble t eam s of researchers t hat are in a posit ion t o

generat e proposals int o NEST, ot her part s of FP6 and ot her research
program m es.

These over - arching obj ect ives are com prised of several m ore focused obj ect ives,
which have been achieved wit h input t o each from all five of t he NETI AM consort ium
part ners.

• Ob j e ct i v e : t o bring t oget her European researchers around four cross-

disciplinary t hem es, so as t o ident ify pot ent ial research breakt hroughs, wit h
m at hem at ics at t heir core, t hat will be prim e m ot ivat ors for int erdisciplinary

7
 effort s in new science and t echnology, and hence help t o define t he next
generat ion of innovat ion in t he European Research Area.
Su m m a r y o f w o r k a n d a ch i e v e m e n t : four t hem at ic workshops have been
held as planned and a sum m ary of t he final report s from each is given in t his
report . Success has been dem onst rat ed in bot h t he num ber of workshop
part icipant s ( 125 in t ot al from 15 different count ries) and t he qualit y of t heir
scient ific cont ribut ions, as dem onst rat ed by t he wealt h of m at erial in t he
workshop report s. I t is int ended t hat dissem inat ion of t he NETI AM report s t o
all part icipant s and t o t he wider com m unit ies from which t hey are drawn, will
st im ulat e st ill furt her ideas for m ult idisciplinary research.

• Ob j e ct i v e : t o dem onst rat e how, t hrough careful m odelling and analysis,

m at hem at ics provides a com m on language wit h which t o describe
int erdisciplinary research challenges in t he chosen t hem es, leading t o t he
necessary cross- disciplinary cohesion.
Su m m a r y o f w o r k a n d a ch i e v e m e n t : all of t he t hem at ic workshops have
been successful in dem onst rat ing t he use and pot ent ial use of m at hem at ics in
a m ult idisciplinary cont ext , and have had a st rong m ult idisciplinary
part icipat ion. Each workshop report is rich source of ideas and collaborat ive
part ners for researchers wishing t o em bark research program m es relat ing t o
t he areas cov ered by t he four t hem at ic workshops.

• Ob j e ct i v e : t o define gaps in t he research knowledge base t hat need t o be

addressed if innovat ive t hinking is t o shed light on t he chosen t hem es.
Su m m a r y o f w o r k a n d a ch i e v e m e n t : t he form at of each workshop was
designed t o allow am ple t im e for facilit at ed discussion aim ed at ident ifying
gaps in current knowledge and research. The gaps ident ified have been t he
basis for ident ifying t he 11 applicat ion areas, t he m at hem at ical m et hodologies
and t he pot ent ial consort ia t hat have em erged for novel m ult idisciplinary
research. They are present ed in det ail in t he Capst one Workshop report and
are sum m arised in t his report .

• Ob j e ct i v e : t o ident ify t he barriers, in t erm s of organisat ion and scient ific

cult ure, t o t he research t hat will fill t hese gaps in knowledge.
Su m m a r y o f w o r k a n d a ch i e v e m e n t : t hese issues were discussed in t he
t hem at ic work shops. More part icularly, p rior t o t he Capst one Workshop,
NETI AM part icipant s were invit ed t o assess t he novelt y and im port ance of t he
research areas highlight ed by t he t hem at ic workshops. The need t o fill t he
ident ified gaps was t hen furt her explored during t he Capst one workshop. For
each of t he 11 proposed research areas, barriers and specific enablers for t he
pursuit of t he proposed m ult idisciplinary research were discussed. The
conclusions are included in t he report of t he Capst one Workshop.

• Ob j e ct i v e : t o recom m end process enablers, for t he form at ion of

m ult idisciplinary collaborat ions, t hat will enable excit ing and pot ent ially high -
benefit proposals t o be brought forward and t o provide generic guidance on
how t o conduct m ult idisciplinary research program m es.
Su m m a r y o f w o r k a n d a ch i e v e m e n t : The process of invit ed part icipat ion,
proposed by individual workshop coordinat ors and overseen by t he NETI AM
Managem ent Board, has proved highly successful in achieving t he required m ix
of skills and disciplines t o explore t he workshop t hem es. Equally im port ant
has been t he use of dedicat ed workshop facilit at ors and rapport eurs ( in t his
case provide by Technology Translat ors of t he Sm it h I nst it ut e) . The workshop
program m e and largely com m on form at is report ed in each of t he five
workshop report s: briefly, each consist ed of present at ions on t he workshop
t hem e( s) followed by plenary and break - out working sessions. The workshops
have provided a m odel for t he form at ion of m ult idisciplinary collaborat ions. As

8
 of t he publicat ion dat e of t his report , t he NETI AM- proposed m ult idisciplinary
research program m es rem ain t o be est ablished, so it is not yet possible t o
report com plet e experience and guidance on conduct ing such act ivit y.

An addit ional St rat egy Meet ing was added t o t he NETI AM plan, aft er t he t hem at ic
workshops had been com plet ed; it had t he following obj ect ive:

• Ob j e ct i v e : t o give t he m at hem at ics com m unit y in Europe t he opport unit y t o

form ulat e a st rat egic ‘act ion plan’ in response t o t he experiences of t he
NETI AM proj ect .
Su m m a r y o f w o r k a n d a ch i e v e m e n t : The St rat egy Meet ing of 20 leading
represent at ives of t he m at hem at ics com m unit y in Europe and from indust ry
has launched a long t erm init iat ive, ent it led ‘Unleashing Mat hem at ics - A
Driving Force for I ndust ry and Societ y in Europe’, t o const ruct an Act ion Plan
for Mat hem at ics in I ndust ry and Societ y t o begin in 2007.

Fo u r m u l t i d i sci p l i n a r y t h e m es

The program m e of each of t he four NETI AM t hem at ic workshops was highly flexible,
int eract ive, and responsive t o em ergent ideas, so dist inguishing t hem from m ore
t radit ional conference and sem inar event s. Each workshop provided insight int o t he
m echanism s and challenges in st im ulat ing ideas for novel m ult idisciplinary research
t opics and collaborat ions; t hese aspect s were also addressed m ore fully in t he
subsequent Capst one Workshop. The proceedings of each workshop ( see NETI AM
Report s sect ion) are sum m arised below.

M a t h e m a t i ca l m o d e l l i n g o f cr i m i n a l i t y i n t h e u r b a n e n v i r o n m e n t
Them at ic Workshop, Firenze, I t aly, 7-8 June, 2004

I n it s first Them at ic Workshop, t he NETI AM proj ect explored opport unit ies for
m ult idisciplinary research under t he t it le ‘Mat h em at ical Modelling of Crim inalit y in t he
Urban Environm ent ’. The workshop was at t ended by som e 24 researchers from 9
count ries, including social scient ist s, geographers, physicist s, and m at hem at icians.

There were t hree opening present at ions on challenges in crim e m apping, t he

geography of crim e and t he sociology of crim e. I n t hese present at ions, t he
part icipant s sought t o ident ify t he key observat ions t hat will underpin any realist ic
m odel of crim inalit y wit hin a closed urban com m unit y.

The im m ediat e result was t he decision t o separat e int o t wo breakout sessions charged
wit h ident ifying t he t heoret ical fram ework wit hin which each of t he following t hem es
could be considered quant it at ively:

1. Modelling Act s of Crim e

2. Modelling Crim inal Behaviour

The out put s were

1. Act s of crim e are perpet rat ed over relat ively short t im e and lengt h scales, as
evidenced by phenom ena such as repeat vict im izat ion, burglary localizat ion,
hot spot s and crim e elast icit y ( bet t er law enforcem ent in one area m akes
neighbouring areas vulnerable) . A m at hem at ical m odel m ust be able t o
predict t hese phenom ena in t erm s of ext ernal forces such as weat her, law
enforcem ent and ease of access. I t m ust be a spat io-t em poral m odel, which
m ay be cont inuous or discret e and which could draw analogies wit h biological
predat ion under t he act ion of foraging predat ors.

9
 2. Crim inal behaviour depends on m any urban indices such as povert y,
educat ion, et hnicit y and housing, and crim inals m ust be classified as, say,
j uvenile, adult , drug- dependent et c. Hence a populat ion dynam ics m odel is
called for , sim ilar t o t hose t hat have been successful in describing
hom elessness and cont agion in m at hem at ical biology. The m odel could be
cont inuous or agent - based, it m ust apply over relat ively long t im e scales and it
m ust be capable of being event ually incorporat ed int o a larger social net work
m odel.

When t hese t wo t hem es were drawn t oget her in t he closing session, it becam e
apparent t hat not only should t hey be developed j oint ly , because of t he close coupling
of m any of t he variables, but also t hat a t hird ‘cont rol space’ t hem e should be
const ruct ed; t his would m odel t he int eract ive coupling wit h t he effect s of social and
law enforcem ent policy and public opinion.

N e w m u l t i d i sci p l i n a r y ch a l l e n g e s i n m o d e l l i n g t h e b u si n e ss
en v ir on m en t
Them at ic Workshop, Vent spils, Lat via, 2 -3 August , 2004

I n it s second Them at ic Workshop, t he NETI AM proj ect explored opport unit ies for
m ult idisciplinary research under t he t it le ‘New Mult idisciplinary Challenges in
Modelling t he Business Environm ent ’. The workshop was at t ended by som e 69
researchers from 9 count ries, including social scient ist s, econom ist s, physicist s, and
m at hem at icians.

There were four opening present at ions, covering m acroeconom ic m odelling and
econom et ric m odels wit h an input / out put core, financial engineering, econom ic
consequences of insurance price fluct uat ion, and t he em ergence of collect ive st at es in
econom ic syst em s. I n t hese present at ions, t he part icipant s sought t o ident ify t he key
challenges and observat ions t hat will m ot ivat e and underpin any realist ic m odels of
t he business, socio- econom ic and polit ical environm ent .

The im m ediat e result was t he decision t o separat e int o four breakout sessions
charged wit h ident ifying t he t heoret ical fram ework s wit hin which each of t he following
t hem es could be considered quant it at ively:

• The coupling bet ween m acro- econom ic m odelling and social net works
• Risk st ochast ics in econom ic m odelling ( t im e series)
• Modelling t he t ransit ion econom ies
• Socio- polit ical environm ent , labour, accessibilit y, corrupt ion

The breadt h and diversit y of feedback from t he four sessions reflect ed t he fact t hat
t his is t he m ost am bit ious of t he four NETI AM t hem es. I t is so large and
int erdisciplinary t hat it is a difficult challenge even t o ident ify t hose t opics where
m at hem at icians can add significant value t o t he m et hodologies used by sociologist s,
econom ist s, polit icians, and m anagers. Concerning t his challenge, t he social science
fact ors t hat were considered t o be crucial t o t he business environm ent were:

• t ransport , com m unicat ions, labour supply, corrupt ion, leisure act ivit ies, hum an
resources/ educat ion.

The corresponding econom ic fact ors were:

• t ax policy, pensions policy, currency value, insurance policy.

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The m at hem at ical m et hodologies t hat em erge as being best suit ed t o handle t his wide
range of hum an act ivit y fall int o t wo cat egories:

1 D a t a M a n a g e m e n t a n d St a t i st i ca l M o d e l l i n g
New direct ions for t his burgeoning area of m at hem at ical science abound in t he
realm of business risk, where t he nov elt y lies in m odelling corrupt ion and
m ism anagem ent and in assessing t he business im plicat ions of social risks such
as gam bling, healt h and unem ploym ent . The m ost prom ising m et hodologies
are t im e series and st ochast ic analysis, but bot h will be plagued by insufficient
dat a com pared t o m ore t radit ional risk analysis in, say, finance or weat her
forecast ing. A desirable out com e of a research program m e based on t hese
prem ises is t he developm ent of new kinds of insurance policies.

2 ‘ A d h o c’ p r e d i ct i o n m o d e l s f o r t h e e v o l u t i o n o f t h e b u si n e ss
en v ir on m en t
I t was absolut ely clear t hat , in t his wide- open area, t he way ahead is via a
generalised t heory of dynam ic net work m odelling. The basic net work st ruct ure
needs t o com prise int erlinked nodes, each of which m ay have a m ult i-
dim ensional behaviour involving m any socioeconom ic variables of which only a
few will be coupled t o ot her nodes. The net work should be able t o nucleat e
and evolve new nodes, and also t o have a learning capabilit y. This is an
excit ing new direct ion for t he m at hem at ical t heory of different ial- algebraic
syst em s; but it is not a com plet ely new challenge because t wo t radit ional, but
very elaborat e ‘ad hoc’ net work m odels are already in use. However, t hey
have never been subj ect t o serious m at hem at ical scrut iny and t heir nodal
param et ers need t o be prescribed subj ect ively. There is, nonet heless, one
reliable paradigm in which t he social m odelling is represent ed by a very sim ple
net work and ut ilit y funct ions at t he nodes describe t he econom et rics. The
developm ent of t his paradigm t o m ake it a qualit y cont rol for t he larger codes
is an excit ing challenge.

Assum ing progress can be m ade wit h 1 and/ or 2 above, t he result ing predict ions will
only be of pract ical value providing t wo ot her quit e different challenges are m et .
First ly, m any social norm s/ indices need t o be quant ified before t he m odels from
eit her 1 or 2 can be used t o predict opt im al policies. Secondly, t he research m ust be
explicable in t erm s t hat are t ransparent t o policy m akers. Neit her of t hese challenges
can be addressed by t he m at hem at ical com m unit y alone but t hey m ust bot h be
overcom e if m at hem at ics is t o m ake a genuine cont ribut ion t o t his out com e.

Ch a l l e n g e s i n v i su a l i za t i o n , si m u l a t i o n a n d d e si g n f o r v i r t u a l p o r o u s
m at er ials
Them at ic Workshop, Kaiserslaut ern, Germ any , 29 - 30 Sept em ber 2004

I n it s t hird Them at ic Workshop, t he NETI AM proj ect explored opport unit ies for
m ult idisciplinary research under t he t it le ‘Challenges in Visualizat ion, Sim ulat ion and
Design for Virt ual Porous Mat erials’. The workshop was at t ended by som e 27
researchers from 8 count ries, including physicist s, com put er scient ist s, and
m at hem at icians.

There were six opening present at ions: ‘Visualisat ion of very large dat a set s’,
‘Vent ilat ion, m at erial t ransport and separat ion in t he hum an lung’, ‘Num erical rocks’,
‘Mat erial geom et ry: physics and shape of spat ially com plex m at t er’, ‘Parallel
algorit hm s for com plex m at erials’, and ‘Text iles and non wovens’.

11
There were m any possible areas wit hin t his large area of basic science upon which t he
breakout groups could have focused. Of t he t wo which em erged, one covered a broad
range of applicat ions and t he ot her a broad area of basic m at hem at ical m et hodology.

M i cr o m e ch a n i cs o f f u t u r e f i l t r a t i o n d e v i ce s

The classical t heory of filt ers classifies t heir m echanics according t o cert ain key
m echanical chem ical and t herm odynam ic param et ers which em erge from paradigm
st udies of single part icle im pact on a sim ple filt er elem ent . The applicabilit y of such
ideas depends considerably on t he abilit y of scient ist s t o scale up t heir predict ions t o
pract ical filt ers wit h all t heir com plex geom et ry.

Modern m et hodology offers t he prom ise of predict ing filt er perform ance far m ore
precisely by using

( i) em erging visualisat ion t echniques ( from X- ray or synchrot ron dat a) t o represent
t he filt er geom et ry fait hfully,
( ii) m odern CFD codes t o predict fluid flow t hrough t his geom et ry, even for m odern
highly irregular filt er m at rices.

However, t here is one basic gap in scient ific underst an ding t hat needs t o be
addressed before t his st rat egy can be considered t o be reliable. This gap concerns t he
m icroscale im pact m echanics of t he part icle ( which m ay be m inut e) wit h t he filt er
m at rix. I t inevit ably involves delicat e fluid m echanics and surface adhesion m echanics
and m ay also involve elect rost at ics, coat ing propert ies and surface chem ist ry.

There are also t heoret ical challenges concerning coupling t he part icle m ot ion
( including coagulat ion) t o t he fluid m ot ion, especially when t here is a filt er cake, or
when clogging needs t o be predict ed.

I f t hese scient ific issues can be resolved, t here are really excit ing applicat ions in
prospect ranging from ult ra- filt ers, t issue engineering, cat alysis and fuel cells t o t he
preservat ion of our archit ect ur al herit age and t o t he t rapping of bact eria and perhaps
even viruses.

Fr o m m i cr o g e o m e t r y o f p o r o u s m e d i a t o m a cr o m a t e r i a l p r o p e r t i e s

This is t he fundam ent al m ult iscale problem of all porous m edia and it is one where
t he m et hodologies cit ed above pave t h e way. I t is axiom at ic ( and provable) t hat fluid
flow t hrough a porous m edium at t he pore scale averages or hom ogenises it self t o
Darcy flow in m any param et er regim es. I t is already possible t o explore new regim es
by using CFD codes t hat apply when t he Nav ier -St okes equat ions cont ain inert ial
t erm s. However, as flow rat es increase, t he accuracy of t he geom et rical
represent at ion m ust be increased, and new codes m ust be writ t en t o com put e
m acroscopic t herm odynam ic or elect rom agnet ic propert ies, rat her t han flow per se.
This challenge is wait ing t o be m et because t he code predict ions can im m ediat ely be
t est ed against known hom ogenised m odels ( Darcy or Biot ) and t hen used t o search
for new correlat ions and scaling laws bet ween t he m icrogeom et ry m easures and t he
m acroscale propert ies. ( For Darcy flow t he porosit y and t ort uosit y are t he principal
ones t o have been ident ified.)

This experim ent al research program m e should receive as m uch qualit y cont rol as
possible from t he burgeoning m at hem at ical t heories of hom ogenisat ion,
com put at ional geom et ry and st ochast ic part ial different ial equat ions, t his last being
vit al in t he presence of uncert ain t om ographic dat a.

12
I t is even possible t hat t his research could lead t o fundam ent al advances in im age
processing because it is clear t hat st at e- of-t he-art voxel visualisat ions are inadequat e
t o represent porous m edia wit h st rong inhom ogeneit ies such as fract ures. There is a
great need for t he discret ised visualisat ion t o cont ain geom et rical elem ent s t hat are
physically plausible for t he porous m edia under considerat ion. The problem of m aking
such elem ent s is wait ing t o be addressed.

I t is cert ain t hat t his research t opic will have really st rong links wit h one of t he
principal NETI AM t hem es, nam ely net work m odelling. At t he m om ent in t he oil and
filt rat ion indust ries t he passage from m icrogeom et ry t o m acropropert ies can only be
realised by const ruct ing int erm ediat e scale net works of elem ent s t hat are believed t o
provide a reliable st epping - st one bet ween t he t wo scales. The design and reliabilit y
of such net works has never been subj ect t o m at hem at ical scrut iny.

Co m p l e x i t y i n m o d e l l i n g p r o t e i n s a n d i n t e r f a ce s a t t h e m o l e cu l a r l e v e l
Them at ic Workshop, Eindhoven, Net herlands, 2-3 Decem ber 2004

This fourt h NETI AM t hem at ic workshop ident ified t wo im port ant areas of physical and
biological science where m at hem at ical innovat ion could enlight en our underst anding
of fundam ent al m olecular processes. Despit e t he apparent disparit y bet ween t hese
areas, t he em ergence of new insight s would rely in each case on bringing new
m ult iscale analyses t o bear.

Un d e r st a n d i n g i n t e r f a ce s a t t h e m o l e cu l a r l e v e l

The m ore physically based t opic is t hat of t he bonding of t wo disparat e m at erials at

an int erface, and specifically t hat of a polym er coat ing a m et al subst rat e. Despit e t he
im port ance of such int erfaces t o t he aut om ot ive, sem iconduct or, m et al and food
indust ries, t here is st ill no reliable basic underst anding of t he at om ic configurat ions
t hat are adopt ed even in t he sim plest configurat ion when t he int erface is nearly flat
and t he coat ing and subst rat e are infinit e in ext ent . Here t he new m at hem at ical idea
is t o syst em at ically use m ult iscale m et hodologies t o ‘m at ch’ t oget her

( i) a classical st at ist ical physics t heory for t he at om s in t he relat ively wide sublayer
where energy and ent ropy com pet e in t he polym er bet ween it s ‘long chain’ bulk and
t he nom inal int erface;
( ii) a densit y funct ional t heory for t he relat ively even m ixt ure of at om s in a nanolayer
around t he int erface;
( iii) an at om ist ic t heory for m et al at om s deeper int o t he subst rat e.

These t hree t heories have a com plet ely different m at hem at ical charact er but t hey all
highlight t he role played by t he Gibbs free energy, and t his will be of vit al im port ance
when m at ching t he t heories t oget her . The result ing com posit e t heory will not only
allow cohesive forces t o be predict ed wit h confidence, but st age ( ii) will reveal defect
st ruct ure in t he int erface it self. This is t he all- im port ant st age at which quant um
m echanical effect s cannot be avoided and t he only way t his can be done for any
realist ic num ber of at om s is by exploit ing t he dram at ic reduct ion in t he dim ensionalit y
of t he governing different ial equat ions t hat densit y funct ional t heory offers.

I f t his m et hodology can be perfect ed on t his paradigm class of problem s, it should be

relat ively easy t o generalise it t o st udy cases of im perfect cont rast ( so called ‘loops’
and ‘t rains’ in t he polym er) , st eps and/ or ledges at t he m et al int erface, t he effect of
im purit y at om s such as oxygen and perh aps even t o areas like quant um dot
fabricat ion.

13
Un d e r st a n d i n g p r o t e i n m o l e cu l e s i n t h e ce l l u l a r e n v i r o n m e n t

There is an urgent need t o gain a bet t er quant it at ive underst anding of t he behaviour
of prot ein m olecules in a cell. From a physico- chem ical viewpoint t he principal
challenge is t o predict t he evolut ion of bot h large and sm all prot ein m olecules as t hey
m ove t hrough t he com plicat ed pat hways bet ween each ot her and t he deform able cell
skelet on and it s m icrot ubules and lipid bilayers. This is not j ust a problem in
m echanics because of t he num erous react ions t hat can occur bet ween all t he kinds of
m olecules in t he cell and because of t he im port ant effect s of elect rical, t herm al and
chem ical gradient s. However it is clear t hat t he geom et ry of t he prot ein m olecule is
it s m ost im port ant m at hem at ical charact erist ic as far as it s react ivit y is concerned
( t he geom et ry being m ost convenient ly defined by it s van der Waals surface) .
Moreover, user -friendly t hree-dim ensional visualisat ions of t his geom et ry are now
becom ing readily available, and t here is m uch current int erest in t he apparent ly close
relat ion bet ween geom et ry and biological funct ionalit y.

I n t his highly com plex sit uat ion, it was proposed t hat t he first requisit e was t o
underst and how t he classical t heory of im m iscible m ult iphase flow in a porous
m edium could be generalised t o highlight t he roles played by bot h t he geom et ry of
t he dispersed phase in t he pores and by t he highly deform able nat ure of t he porous
‘m at rix’. This m ult iscale approach will be sim ilar in spirit t o t he well - developed
Buckley - Leveret t t heory as used so successfully in t he oil recovery indust ry.

Such a paradigm will ignore react ions in t he first inst ance but it is ant icipat ed t hat
t hese react ions will ult im at ely be incorporat ed as a body force dist ribut ed t hrough t he
disperse phase in a way t hat is crucially dependent on t he prot ein m olecule geom et ry.
I t is also hoped t hat t he m odel will provide a basis for underst anding t ransport across
t he ‘bridges’ bet ween t he cyt oplasm and t he nucleus.

Op p o r t u n i t i e s f o r m a t h e m a t i cs i n m u l t i d i sci p l i n a r y r e se a r ch
Capst one Workshop, Oxford, UK, 14- 15 March 2005

I n t he Capst one Workshop of t he series, t he NETI AM proj ect sum m arised and furt her
exam ined t he opport unit ies for m ult idisciplinary research ident ified by t he preceding
four t hem at ic workshops. The workshop was at t ended by 20 researchers from 6
count ries including m at hem at icians and physical, econom ic and social scient ist s. The
proceedings of t his workshop are available in a report which m ay be downloaded from
t he NETI AM websit e at www.net iam .net .

To p i cs f o r m u l t i d i sci p l i n a r y r e se a r ch a ct i v i t y

Present at ions were m ade by t he local organisers of t he earlier t hem at ic workshops t o

sum m arise t he findings in each of t he workshop t hem es:

• Mat hem at ical m odelling of crim inalit y in t he urban environm ent

• New m ult idisciplinary challenges in m odelling t he business environm ent
• Challenges in visualisat ion, sim ulat ion and design for virt ual porous m at erials
• Com plexit y in m odelling prot eins and int erfaces at t he m olecular level.

Three underpinning t hem es of im port ance t o all t hese diverse areas em erged

1. Modelling phenom ena over disparat e t im e and lengt h scales

2. Dynam ic net work m odelling
3. Visualisat ion and com put at ional geom et ry.

14
Each of t hese underpinning t hem es was discussed in relat ion t o t he t opics arising in
t he preceding t hem at ic workshops. Com m on areas of challenge and im port ant
dist inct ions bet ween t he areas were highlight ed in t he discussions.

The following eleven applicat ion areas, covering one or m ore of t he t hem es, have
been proposed for furt her research act ivit y as a result of t he workshop.

Bonding forces bet ween organic and inorganic m at erials

Filt er ( porous) m edia design
Self- organized crim e space analysis
Opport unit y net works in crim e
Tim e- evolut ion of crim inalit y in urban areas
Coordinat ion bet ween businesses
Charact erisat ion of prot ein geom et ry
Dynam ic social and econom ic net works
Pricing insurance policies in high risk environm ent s
Quant ifying econom ic freedom
I nst it ut ional governance and corrupt ion.

I n t he workshop report , t he corresponding m at hem at ical m et hodologies and ot her

disciplines required have been highlight ed for each applicat ion, and m ult idisciplinary
European consort ia wit h t he skills t o undert ake work in each area have been
ident ified. Taking each applicat ion area in t urn, t he st ruct ure of t he relevant science
base has been analysed and, where possible, opport unit ies have been sought for
influencing science policy t o facilit at e progress.

I n f r a st r u ct u r e a n d m e ch a n i sm

The Capst one m eet ing also addressed t he issues of m echanism and st ruct ure in order
t o re- visit t h e last of t he NETI AM obj ect ives. A num ber of point s em erged:

Th e N ETI A M a p p r o a ch is very applicat ion - orient ed, not m at hem at ics- driven, and for
good reason. I t is difficult t o bring people t oget her in a m ult idisciplinary environm ent
unless t here is a com m on point on t he horizon t o aim for: t his is t he underlying
philosophy of t he NETI AM approach, and is one of t he reasons why ident ifying and
focusing t he problem is half t he work. NETI AM has laid t he groundwork in ident ifying
and out lining areas for advent urous m ult idisciplinary research .

The list ed applicat ions and m et hodologies do not im ply t hat t he m et hodologies are
adequat e — rat her it m eans t hat t hey are t he st art ing point s for t he applicat ions. New
m at hem at ics and new developm ent s m ay be required: t here is no t elling what n e w
m a t h e m a t i cs m ay be st im ulat ed by t he problem s arising in any of t hese applicat ion
areas. Developm ent s in m at hem at ics can eit her be st im ulat ed by problem s arising
from out side m at hem at ics it self, or from wit hin, and NETI AM has been concerned wit h
t he first kind of developm ent s. I t is also im port ant t o realise t hat NETI AM is not
represent at ive of m at hem at ics as a whole; rat her, it is at t he int erface of
m at hem at ics wit h indust rial and m ult idisciplinary applicat ions.

M a t h e m a t i cs i s t h e co m m o n d e n o m i n a t o r of t he NETI AM proj ect s, but t here is an

urgent need for it t o be m ore generally appreciat ed as t he com m on denom inat or in
science, indust ry and societ y. I t is necessary t o com m unicat e t he NETI AM
m et hodology, so t hat ot hers can see how t hey can apply t he sam e m et hods. NETI AM
has dem onst rat ed how m at hem at ics can be used in novel areas; t hat m essage m ust
be com m unicat ed at a high level, by and t hrough t he m at hem at ics net works around
Europe. This issue was addressed in t he subsequent NETI AM St rat egy Meet ing.

15
St r a t e g y : M a t h e m a t i cs, I n d u st r y a n d So ci e t y i n Eu r o p e
St rat egy Meet ing, Oxford, UK, 4 - 5 July, 2005

I n t he NETI AM St rat egy Meet ing, part ner coordinat ors of t he NETI AM proj ect and 15
ot her leading figures from t he m at hem at ics com m unit y in Europe and from indust ry
explored t he int erface bet ween m at hem at ics, indust ry and societ y, t o det erm ine how
Europe can best reap t he pract ical benefit s of t he ideas and opport unit ies creat ed by
it s m at hem at ical com m unit y.

The gr oup aim ed t o address a wide range of issues including: t he organisat ion of
int erdisciplinary m at hem at ics, t he m ix of privat e and public invest m ent , m easuring
t he value of int erdisciplinary m at hem at ics, creat ing awareness of t he value
m at hem at ics, and accom m odat ing different nat ional/ regional cult ures.

An alm ost im m ediat e and sust ained focus of t he discussions was t he urgent n eed t o
i n cr e a se a w a r e n e ss o f t h e r o l e a n d v a l u e o f m a t h e m a t i cs i n so ci e t y , i n
i n d u st r y a n d a s a n a sp e ct o f o u r cu l t u r e . A wide range of challenges and
m echanism s t o address t his issue were discussed, and it was agreed t hat a sust ained
period of act ion by t he m at hem at ics com m unit y, perhaps over 10 - 20 years, would be
required t o enable societ y t o reap t he full benefit s of m at hem at ics. I n t he short t erm
of 1 - 2 years, it was proposed t hat a com prehensive m arket ing and publicit y cam paign
would be direct ed t owards t he public, indust ry, t he m at hem at ics com m unit y and
ot her disciplines. To carry forward t his program m e, t he m eet ing proposed t hat an
alliance of represent at ives from m at hem at ics com m unit ies in Europe be form ed, and
t hat it s st rat egy be im plem ent ed t hrough an execut ive sub- group t o be drawn from
it s m em bership. The m eet ing approved t he preparat ion of an act ion plan for wide
dissem inat ion across Europe.

Following t he St rat egy Meet ing, t his init iat ive has been out lined by t he part icipant s
under t he t it le Un l e a sh i n g M a t h e m a t i cs - A D r i v i n g Fo r ce f o r I n d u st r y a n d
So ci e t y i n Eu r o p e , and it is being widely dissem inat ed in a brochure, t hrough t he
NETI AM websit e www.net iam .net / Unleashing , and t hrough ot her channels. Drawing
on t he cum ul at ive exper ience spread across Europe, t he 'Unleashing Mat hem at ics'
init iat ive aim s t o set up a t eam of com m it t ed researchers and policym akers from
academ ia, indust ry and governm ent agencies. I t s m ission will be t o ident ify t he best
way of coordinat ing int erdisciplinary m at hem at ics in Europe and t o const ruct an
Act ion Plan for Mat hem at ics in I ndust ry and Societ y t o begin in 2007.

The St rat egy Meet ing report , and furt her det ails of t he ‘Unleashing Mat hem at ics’
init iat ive m ay be request ed from t he NETI AM coordinat or, whose cont act det ails are
provided at t he end of t his report .

16
Pl a n f o r u si n g a n d d i sse m i n a t i n g k n o w l e d g e

K n o w l e d g e d i sse m i n a t i o n

A NETI AM websit e at www.net iam .net is m aint ained by t he Sm it h I nst it ut e to

dissem inat e workshop report s and inform at ion on t he proj ect ’s act ivit ies. The sit e also
provides links and inform at ion t o support t hose wishing t o part icipat e in t he NEST
program m e.
Through it s m ult idisciplinary part icipat ion, each workshop has act ed as a vehicle for
t he engagem ent wit h and dissem inat ion of inform at ion about act ivit ies in NEST. Each
workshop part icipant has been provided in advance wit h briefing m at erial describing
t he obj ect ives and expect ed out com es of t he workshop, t oget her wit h explanat ion of
t he opport unit ies and m echanism s by which t hey can cont ribut e t o t he workshop.
Each part icipant has also been given det ails of t he NEST act ivit y and encouraged t o
dissem inat e t heir knowledge of NEST t o colleagues in t heir hom e inst it ut ions.
A w orkshop report has been produced for each Them at ic Workshop and for t he
Capst one Workshop. These report s record t he proceedings, part icipat ion and ideas
em erging from each workshop. Each report has been dissem inat ed t o t he workshop
part icipant s, published on t he NETI AM websit e and delivered t o t he NEST Proj ect
Officer at t he European Com m ission. The web links for t he report s have also been
dissem inat ed m ore widely t o research and press organisat ions across Europe.
The NETI AM St rat egy Meet ing, which was added t o t he proj ect plan at t he end of
Period 1, was recorded in not e form for t he part icipant s, and for dissem inat ion by
t hem individually. As a first st ep in t he init iat ive form ulat ed by t he St rat egy Meet ing,
a four - page brochure ent it led ‘Unleashing Mat hem at ics’ has been produced and is
being widely dissem inat ed. I t aim s t o garner t he act ive support of com m it t ed
researchers and policym akers from academ ia, indust ry and governm ent agencies t o
help develop and im plem ent an Act ion Plan for Mat hem at ics in I ndust ry and Societ y .
Organisat ions t o which t here has been dissem inat ion include:

Engineering and Physical Sciences Research Council

La Repubblica
Lat vian press
Nat ure
FP6UK
UK Depart m ent of Trade and I ndust ry
European Consort ium for Mat hem at ics in I ndust ry ( ECMI )
European Research Consort ium for I nform at ics and Mat hem at ics ( ERCI M News)
Mat hem at ics, Com put ing and Sim ulat ion for I ndust ry ( MACSI net )
Num erical Analysis Digest ( US based e- digest )
I nst it ut e of Mat hem at ics and it s Applicat ions ( UK)
CORDI S News ( web art icle)
CORDI S Wire ( web art icle)

Ra i si n g p u b l i c p a r t i ci p a t i o n a n d a w a r e n e ss

The Sm it h I nst it ut e, on behalf of t he consort ium , has prepared a brief NETI AM proj ect
sum m ary, in t he st yle of a press release, in English, of t wo pages. The sum m ary is
accessible t o t he non specialist at school level, universit y or in t he general public, and
also provides a useful overview for researchers in all disciplines. The docum ent
highlight s t he key role t hat m at hem at ics can play in m ult idisciplinary research and
sum m arises m echanism s for enabling t he ident ificat ion and conduct of such research.
The docum ent can be found at

17
ht t p: / / europa.eu.int / com m / research/ fp6/ nest / pdf/ nest _proj ect _fact sheet s2003a.pdf

and has been dissem inat ed t o all NETI AM part ners for dist ribut ion .

The present report , which capt ures t he int egrat ion of out put s and ideas from t he
NETI AM workshops and from t he NETI AM St rat egy Meet ing, is published for public
dissem inat ion t o a wide range of organisat ions across Europe, including indust ry,
governm ent and educat ion.

18
N ETI A M Re p o r t s

[ 1] Mat hem at ical m odelling of crim inalit y in t he urban environm ent , Report of t he
Them at ic Workshop held in Firenze, I t aly, 7 - 8 June, 2004 .

[ 2] New m ult idisciplinary challenges in m odelling t he business environm ent , Report of

t he Them at ic Workshop held in Vent spils, Lat via, 2 - 3 August , 2004.

[ 3] Challenges in visualizat ion, sim ulat ion and design for virt ual porous m at erials,
Report of t he Them at ic Workshop held in Kaiserslaut ern, Germ any, 29 -30 Sept em ber
2004 .

[ 4] Com plexit y in m odelling prot eins and int erfaces at t he m olecular level,
Report of t he Them at ic Workshop held in Eindhoven, The Net herlands, 2- 3 Decem ber
2004 .

[ 5] Opport unit ies for m at hem at ics in m ult idisciplinary research, Report of t he
Capst one Workshop held in Oxford, UK, 14 -15 March 2005 .

[ 6] Mat hem at ics, I ndust ry and Societ y in Europe, Not es of t he NETI AM St rat egy
Meet ing held in Oxford, UK, 4-5 July, 2005. Available on request from
office@sm it hinst .co.uk .

References [ 1 - 5] m ay be downloaded from t he NETI AM websit e: www.net iam .net .

19
A CK N OW LED GEM EN TS

The NETI AM Consort ium was support ed by a grant from t he European Com m ission
under Cont ract No. NEST- CT- 2003 -002513. The Consort ium acknowledges wit h warm
t hanks t he cont ribut ions of t hose who m ade t im e available t o cont ribut e expert ise,
ideas, opinion and inform at ion:

Fi r e n ze w o r k sh o p p a r t i ci p a n t s :
( Mat hem at ical m odelling of crim inalit y in t he urban environm ent )

Giacom o Alet t i Universit à degli St udi di Milano, I t aly

Daniele Am at i Scuola I nt ernazionale Superiore di St udi Avanzat i,
Triest e, I t aly
Francesco Bat t ist i Universit à degli St udi di Cassino, I t aly
Henri Berest ycki L'École des Haut es Ét udes en Sciences Sociales, France
Melvin Brown Sm it h I nst it ut e, UK
Jon Chapm an Universit y of Oxford, UK
Claire Cunt y CNRS- UMR Géographie- cit és, France
Olof Dahlbäck St ockholm Universit y, Sweden
Mirt a Gordon Laborat oire Leibniz-I m ag, Grenoble, France
Mat s Gyllenberg Universit y of Turku, Finland
Miguel Herrero Universidad Com plut ense de Madrid, Spain
Neil Johnson Universit y of Oxford, UK
Shane Johnson Universit y College London, UK
Andrew Lacey Heriot -Wat t Universit y, UK
Robert Leese Sm it h I nst it ut e, UK
Robert Mat t heij Technische Universit eit Eindhoven, The Net herlands
Andro Mikelic Universit é Claude Bernard Lyon 1, France
Juan Carlos Nuño Universidad Polit écnica de Madrid, Spain
Hilary Ockendon Universit y of Oxford, UK
John Ockendon Universit y of Oxford, UK
Mario Prim icerio Universit à degli St udi di Firenze, I t aly
Beat riz Rum bos I nst it uo Tecnológico Aut ónom o de México
Miguel Virasoro Universit à di Rom a1 ‘La Sapienza’
Andreas Wiegm ann Fraunhofer - I TWM, Germ any
Aivars Zem it is Vent spils Universit y College, Lat via

Ve n t sp i l s w o r k sh o p p a r t i ci p a n t s:
( New m ult idisciplinary challenges in m odelling t he business environm ent )

Giuliano Basso Energy Solut ions, UK

Mart inš Berzinš Daugavas Vanagi, Germ any
Ugis Berzinš SLD Consult ing, Sweden
Melvin Brown Sm it h I nst it ut e, UK
Alist air Fit t Universit y of Sout ham pt on, UK
Mirt a Gordon Laborat oire Leibniz-I m ag, Grenoble, France
Gunars Grizans Vent spils Universit y College, Lat via
Sergej s Hilkevics Vent spils Universit y College, Lat via
Andrej s Jaunzem s Vent spils Universit y College, Lat via
Per Richard Johansen Norwegian Cent ral Bureau of St at ist ics, Norway
Juris Robert s Kalninš Social t echnology I nst it ut e, Lat via
Valent inas Kiauleikis Kaunas Universit y of Technology, Lit huania
Ulrich Nögel Fraunhofer - I TWM, Germ any
John Ockendon Universit y of Oxford, UK
Tiiu Paas Universit y of Tart u, Est onia
Mario Prim icerio Universit à degli St udi di Firenze, I t aly

20
Fabio Rossi Universit à degli St udi di Triest e, I t aly
Janis St irna KTH, Sweden
Wilm a Teness CC Consult ing, Sweden
Heat her Tewkesbury Sm it h I nst it ut e, UK
Vincenzo Vespri Universit y of Firenze, I t aly
Janis Vucans Vent spils Universit y College, Lat via
Andreas Wiegm ann Fraunhofer - I TWM, Germ any
Mat t hias Winkel Universit y of Oxford, UK
Aivars Zem it is Vent spils Universit y College, Lat via

A furt her 44 Lat vian part icipant s from governm ent , financial and research inst it ut ions
at t ended t his workshop on it s first day.

K a i se r sl a u t e r n w o r k sh o p p a r t i ci p a n t s:
( Challenges in visualizat ion, sim ulat ion and design for virt ual porous m at erials)

David Allwright Sm it h I nst it ut e, UK

Mart ij n Ant honissen Technische Universit eit Eindhoven, The Net herlands
I acopo Borsi Universit y of Florence, I t aly
Boris Breidenbach Max - Planck -I nsit ut für Met allforschung, Germ any
Mart in Dauner I nst it ut e of Text ile Technology and Process Engineering,
Denkendorf, Germ any
Chris Farm er Schlum berger Evaluat ion and Product ion Services, UK
Christ oph Gart h Universit y of Kaiserslaut ern, Germ any
Oleg I liev Fr aunhofer - I TWM, Germ any
Wolfgang Koch Fraunhofer I nst . für Toxikologie und Experim ent elle
Medizin, Germ any
Arnulf Lat z Fraunhofer - I TWM, Kaiserslaut ern, Germ any
Bas van der Linden Technische Universit eit Eindhoven, The Net herlands
Robert Mat t heij Technische Universit eit Eindhoven, The Net herlands
Klaus Mecke Max - Planck -I nst it ut fü r Met allforschung, Germ any
Mart ine Meireles CNRS and Univ. P. Sabat ier, Toulouse, France
John Ockendon Universit y of Oxford, UK
Julia Orlik Fraunhofer - I TWM, Kaiserslaut ern , Germ any
George Perera Perera Soft ware Engineering, St ut t gart , Germ any
Mario Prim icerio Universit à degli St udi di Firenze, I t aly
Ewald Quak SI NTEF I CT, Oslo, Norway
Kat j a Schladit z Fraunhofer - I TWM, Kaiserslaut ern , Germ any
Adrian Sheppard Aust ralian Nat ional Universit y
Mark Spivack Universit y of Cam bridge, UK
Konrad St einer Fraunhofer - I TWM, Kaiserslaut ern, Germ any
Heat her Tewkesbury Sm it h I nst it ut e, UK
Andreas Wiegm ann Fraunhofer I TWM, Kaiserslaut ern , Germ any
Ain ars Zem it is Universit y of Ham burg , Germ any
Aivars Zem it is Vent spils Universit y College, Lat via

Ei n d h o v e n w o r k sh o p p a r t i ci p a n t s:
( Com plexit y in m odelling prot eins and int erfaces at t he m olecular level)

David Allwright Sm it h I nst it ut e, UK

Mart ij n Ant honissen Technische Universit eit Eindhoven, Net herlands
Albert o Bersani Universit à di Rom a ‘La Sapienza’, I t aly
Enrico Bersani Dat aLink I nform at ica s.r.l, I t aly
Tim Boxer Sm it h I nst it ut e, UK
Monica Bulacu Rij ksuniversit eit Groningen, Net herlands
Christ opher Cox Clem son Universit y, USA
Gero Friesecke Universit y of Warwick , UK

21
Christ ina Giannopapa
Bob Mat t h eij
John Ockendon
Miguel Pat ricio
Mark Pelet ier
Mar io Prim icerio
Jackie Schoolem an
Paul van der Varst
Willem - Pier Vellinga
Andreas Wiegm an
Bert de Wit h
Aivars Zem it is
Ca p st o n e w o r k sh o p p a r t i ci p a n t s :
( Opport unit ies for m at hem at ics in m ult idisciplinary research)
David Allwright
Francesco Bat t ist i
Tim Boxer
Melvin Brown
Christ ina Giannopapa
Mirt a Gordon
Sergej s Hilkevics
Shane Johnson
Juris Robert s Kalnins
Robert Leese
Robert Mat t heij
Hilary Ockendon
John Ockendon
Mario Prim icerio
Heat her Tewkesbury
Ben Tubbing
Janis Vucans
Andreas Wiegm ann
Bert de Wit h
Aivars Zem it is
Technische Universit eit Eindhoven, Net herlands
Technische Universit eit Eindhoven, Net herlands
Universit y of Oxford, UK
Technische Universit eit Eindhoven, Net herlands
Technische Universit eit Eindhoven, Net herlands
Universit à degli St udi di Firenze, I t aly
Virt ual Prot iens B. V., Net herlands
Technische Universit eit Eindhoven, Net herlands
Rij ksuniversit eit Groningen, Net herlands
Fraunhofer - I TWM, Germ any
Technische Universit eit Eindhoven, Net herlands
Vent spils Universit y College, Lat via
Sm it h I nst it ut e, UK
Universit à degli St udi di Cassino, I t aly
Sm it h I nst it ut e, UK
Sm it h I nst it ut e, UK
Technische Universit eit Eindhoven, Net herlands
Laborat oire Leibniz-I m ag, Grenoble, France
Vent spils Universit y College, Lat via
Universit y College London, UK
Social Technology I nst it ut e, Lat via
Sm it h I nst it ut e, UK
Technische Universit eit Eindhoven, Net herlands
Universit y of Oxford, UK
Universit y of Oxford, UK
Universit à degli St udi di Firenze, I t aly
Sm it h I nst it ut e, UK
European Com m ission
Vent spils Universit y College, Lat via
Fraunhofer - I TWM, Germ any
Technische Universit eit Eindhoven, Net h erlands
Vent spils Universit y College, Lat via
22
St r a t e g y m e e t i n g p a r t i ci p a n t s:
( Mat hem at ics, I ndust ry and Societ y in Europe)

Jean - Pierre Bourguignon I nst it ut des Haut es Ét udes Scient ifiques, France
Melvin Brown Sm it h I nst it ut e, UK
Heinz Engl Johann Radon I nst it ut e, Aust rian Academ y of Sciences
Pet er Grindrod Lawson Soft ware
Helge Holden European Consort ium for Mat hem at ics in I ndust ry
Julian Hunt Universit y College London , UK
Rolf Jelt sch ETH Zürich , Swit zerland
Philippe Lacour - Gayet Chief Scient ist , Schlum berger
Robert Leese Sm it h I nst it ut e, UK
Robert Mat t heij Technische Universit eit Eindhoven , The Net herlands
Helm ut Neunzert Fraunhofer - I TWM, Kaiserslaut ern , Germ any
Hilary Ockendon Universit y of Oxford, UK
John Ockendon Universit y of Oxford, UK
Mario Prim icerio Universit à degli St udi di Firenze, I t aly
Ewald Quak Tallinn Universit y of Technology, Est onia
Mike Sheppard Schlum berger
Bruce Sm it h Sm it h I nst it ut e, UK
Mart in Taylor Physical Secret ary, Royal Societ y of London
Bernardus Tubbing DG Research, European Com m ission
Aivars Zem it is Vent spils Universit y College, Lat via

Part icular t hanks are due t o Ben Tubbing ( European Com m ission - DG RESEARCH)
who, as t he NETI AM Proj ect Officer, provided valuable guidance t hroughout t he
proj ect .

23
CON TA CT D ETA I LS

N ETI A M Co o r d i n a t o r :
Dr Robert Leese
The Sm it h I nst it ut e for I ndust rial Mat hem at ics and Syst em Engineering
Surrey Technology Cent re
Surrey Research Park
Guildford GU2 7YG
Unit ed Kingdom

Fax: + 44 ( 0) 1483 568710

E- m ail: office@sm it hinst .co.uk
Web: www.sm it hinst .co.uk

N ETI A M w e b si t e : www.net iam .net

24
European Commission

EUR 21797 — New and Emerging Themes in Industrial and Applied Mathematics:
Final Report of the NEST SUPPORT project NETIAM

Luxembourg: Office for Official Publications of the European Communities

2005— 24 pp. — 17.6 x 25.0 cm

ISBN 92-894-9700-9