Università Cattolica del Sacro Cuore

Understanding materials by molecular dynamics simulations: theory and examples

Corso  dal 11 gennaio 2018 al 12 gennaio 2018
Aula: Sala riunioni -  Ore: 11.00 - 13.00
Via Musei 41, Brescia


Francesco BANFI
Università Cattolica del Sacro Cuore


Claudia CADDEO, PhD
Istituto Officina dei Materiali (CNR - IOM) Cagliari


Molecular dynamics simulations are playing an increasingly important role in many areas of science and engineering, from biology and pharmacy to nanoelectronics and structural materials. The goal of this short course is to provide a brief introduction to the theory and algorithms behind molecular dynamics simulations and exemplify with a few applications. The course will have an applicative character, and it features two hands-on sessions which will give the students the skills to run a simple simulation on a system of technological interest.