MolSimEng 2023

The fifth edition of the Molecular Simulation and Engineering workshop will place on Friday, October 6th 2023 at the Politecnico di Milano,

The event will take place  in the "Aula Pedeferri"  of DCMIC, in Building 6, Piazza Leonardo Da Vinci 32 (MM2 "Piola" station). Links will be email to registered participants who request online attendance.. Attendance is free, subject to registration at this link (until September 30th). 

PROGRAM

9:00 - registration

9:30 - welcome

9:40 - Giulio Giuseppe Giusteri (University of Padova): "Flow-type dependent rheologies and multiscale simulations"

10:25 - Mauro Ferrario (University of Modena and Reggio Emilia): "Continuum mechanics from molecular dynamics via adiabatic time and length scale separation"

11:10 - break

11:30 - Maria Clelia Righi (University of Bologna): "Advancing solid interfaces and lubricants by first principles material design"

12:15 - Francesco De Roma (Politecnico di Torino): "Modelling the rheology of complex fluids with dissipative particle dynamics"

12:30 - Davide Ceresoli (CNR-SCITEC): "Molecular dynamics strategies to determine the melting curve of CaO"

12:45 - lunch and poster session

14:30 - Giovanni M. Pavan (Politecnico di Torino): "Intrinsic dynamics and emerging complexity in self-assembling systems"

15:15 - Alfonso Pedone (University of Modena and Reggio Emilia): "Revolutionizing glass design: molecular dynamics simulations for multicomponent oxide glasses and challenges ahead"

16:00 - break

16:20 - Antonio Tinti (Sapienza Università di Roma): "Charting nanocluster structures via convolutional neural networks"

16:35 - Francesco Maria Bellussi (Politecnico di Torino): "A multiscale model to describe the wetting of solid surfaces"

16:50 - Marta Corno (Università di Torino): "Cyclodextrin-based nanosponges (CD-NS) as drug delivery systems: a novel computational approach"

17:05 - closing and farewell

The five short talks have been selected among the submitted poster abstracts.

Book of abstracts

The workshop is part of the activities of the CECAM-IT-SIMUL node of the Centre Européen de Calcul Atomique et Moléculaire, and is organized in collaboration with the Department of Chemistry, Materials and Chemical Engineering "Giulio Natta" of the Politecnico di Milano.

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The Organizing Committee.

Guido Raos and Matteo Tommasini (Politecnico di Milano), Antonio Di Carlo (CECAM-IT-SIMUL node), Carlo M. Casciola (Università di Roma "La Sapienza"), Daniele Marchisio (Politecnico di Torino).