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New Frontiers in Multiscale Modelling of Advanced Materials

Secretariat

Ines Campo
+39 0461 314721
Tuesday, 17 June, 2014 - 09:00 to Friday, 20 June, 2014 - 17:30
Location: 
ECT* Conference room
Abstract: 

Atomistic simulations, based on ab-initio and semi-empirical approaches, are nowadays widespread in many areas of physics, chemistry and, more recently, biology. Improved algorithms and increased computational power widened the areas of application of these computational methods to extended materials of technological interest, in particular allowing unprecedented access to the first-principles investigation of their electronic, optical, thermodynamical and mechanical properties, even where experiments are not available. However, for a big impact on the society this rapidly growing field of computational approaches to materials science has to face the unfavourable scaling with the system size, and to beat the time-scale bottleneck. Indeed, many phenomena, such as crystal growth or protein folding for example, occur in a space/time scale which is normally out of reach of present simulations. Multi-scale approaches try to combine different scale algorithms along with matching procedures in order to bridge the gap between first-principles and continuum-level simulations. This workshop is aimed at the description of recent advances and applications in these two emerging fields of ab-inito and multi-scale materials modelling for both ground and excited states. A variety of theoretical and computational techniques will be presented along with the application of these methods to systems at increasing level of complexity, from nano to micro. To enhance the communication between experimental materials researchers and computational physicists, we plan a number of talks by world-renowned experimentalists on materials characterization. Crossing the borders between several computational, theoretical and experimental techniques, this workshop should be of interest to a broad community, including experimental and theoretical physicists, chemists and engineers interested in materials research in a broad sense.

Registration period: 
14 Apr 2014 to 01 Jun 2014

Organizers

Maurizio Dapor ECT* - LISC
N. Pugno University of Trento - FBK and Queen Mary University of London
Simone Taioli ECT*

Attendees

Last nameFirst nameInstitutionCountry of Institution
alfedarioUCLUK
AradiBalintUniversity of Bremen, Bremen Center for Computational Materials ScienceGermany
BarbieriEttoreQueen Mary University of LondonUnited Kingdom
BigoniDavideUniversity of TrentoItaly
BINIFABIANODipartimento di Ingegneria Meccanica e Aerospaziale - "SAPIENZA" Università di RomaItalia
BosiaFedericoUniversity of TorinoItaly
CalandraMatteoCNRS and Université P. et M. CurieFrance
CasulaMichelePierre et Marie Curie UniversityFrance
CataldiAnnalisaUniversity of TrentoItaly
CerulloGiulioPolitecnico di MilanoItaly
CreatoreCelestinoCavendish Laboratory, University of CambridgeUnited Kingdom
De VitaAlessandroKing's College LondonUK
DoltsinisNikosUniversity of MünsterGermany
FaccioliPietroUniversity of TrentoItalia
GARAVELLIMARCOUniversita' di BolognaItaly
GarberoglioGiovanniFondazione Bruno KesslerItaly
IorioAlfredoCharles UniversityCzech Republic
JohnsonKarlUniversity of PittsburghUSA
KoverLaszloInstitute for Nuclear Research, Hungarian Academy of SciencesHungary
LibonatiFlaviaPolitecnico di MilanoItaly
LodiLorenzoUniversity College LondonUnited Kingdom
MahmoodHaroonUniversity of TrentoItaly
MauriFrancescoCNRSFrance
OrsiMarioQueen Mary University of LondonUK
PaggiMarcoIMT Institute for Advanced Studies LuccaItaly
PederivaFrancescoUniversity of Trento - Physics DepartmentItaly
PedrazzoliDiegoUniversity of Trento - Department of Industrial EngineeringItaly
PugnoNicolaUniversity of TrentoItaly
RyuSeunghwaKAIST (Korea Advanced Institute of Science and Technology)South Korea
SegattaFrancescoUniversity of TrentoItaly
SignettiStefanoUniversity of TrentoItaly
SpantiniAlessioMassachusetts Institute of TechnologyUSA
TaioliSimoneBruno Kessler FoundationItaly
TavernelliIvanoEPFLSwitzerland
TozziniValentinaIstituto Nanoscienze CnrItaly
UmariPaoloDipartimento di Fisica e Astronomia, Università di PadovaItaly
VerucchiRobertoIMEM-CNRItaly
ZerbettoFrancescoUniversita' di BolognaItaly