Are you an EPFL student looking for a semester project?
Work with us on data science and visualisation projects, and deploy your project as an app on top of Graph Search.
Lecture
Equilibrium GLE sampling
Description
This lecture covers Equilibrium Generalized Langevin Equation (GLE) sampling in atomistic modeling, focusing on optimizing sampling efficiency, custom-tailored thermostats, and canonical sampling GLE. The instructor discusses the concept of optimal sampling efficiency, the process of customizing thermostats, and the importance of canonical sampling for high statistical efficiency. The lecture emphasizes fine-tuning molecular dynamics (MD) sampling properties by adjusting GLE parameters and provides insights into pre-optimized parameter sets available online.
Official source
About this result
This page is automatically generated and may contain information that is not correct, complete, up-to-date, or relevant to your search query. The same applies to every other page on this website. Please make sure to verify the information with EPFL's official sources.