Molecular modeling techniques are widely used in materials science to understand the atomic scale chemical and physical processes. This approach allows to speed up the design of new materials with improved properties. In this talk the molecular modeling approach will be presented providing a wide overview of numerical techniques. A brief introduction on the availability of computational platforms and related numerical tools will be provided. Moreover some applications will be discussed relating numerical results to experimental achievements.
BIO - Dr. Massimo Celino
Dr. Massimo Celino, staff scientist at ENEA, was born in Rome in 1967. Dr Celino studied Physics at the Universityof Rome “La Sapienza” discussing a thesis on the numerical modelling of charge flows at the depinning transition. He got a PhD in condensed matter physics at the University of Strasbourg “L. Pasteur” (France) in 2002 discussing a thesis on the numerical characterization of amorphous and liquid atomic structure of silicon diselenide materials. His main scientific interests are in the field of molecular modeling of amorphous and liquid materials via both quantum and classical molecular dynamics tools on high performance computing platforms. He is author of about 70 scientific papers on international journals, and delivered talks and communications to numerous national and international conferences.
