Understanding Molecular Simulation
Location: CECAM-CN
Organisers
This week-long school offers a program focusing on numerical techniques for the study of properties of many-particle systems. It targets PhD and postdoctoral researchers who want to learn these techniques to study topics in physics, chemistry or biology. The course may also be followed by advanced MSc students. It offers a recap of the statistical mechanics relevant for molecular simulation and addresses basic and advanced simulation techniques including Monte Carlo, molecular dynamics, free energy calculations, rare events, modelling systems with many-body and long-range interactions, and coarse graining procedures – without discussing particular software packages. Additionally, two special topics will be organized: on machine learning and its applications in condensed matter and biological physics, and on modelling of the fluid flow.
The school consists of an integrated program of lectures and hands-on exercises based on the book ``Understanding Molecular Simulation'' by Frenkel and Smit [1]. Exercise handouts and copies of the lecture slides will be provided. A poster session will be an opportunity for participants to present their research in an informal setting.
References
Jure Dobnikar (Institute of Physics, Chinese Academy of Sciences) - Organiser
Spain
Ignacio Pagonabarraga (University of Barcelona) - Organiser
United Kingdom
Daan Frenkel (U Cambridge) - Organiser