Sort by
Refine Your Search
-
Council. He or she will gain expertise in multi-scale molecular dynamics simulations, enhanced sampling techniques and application of machine- learning techniques to analyze simulation data, all applied
-
developing a protocol gathering an array of state of-the-art computational techniques: ab initio methods, molecular dynamics, enhanced sampling techniques (metadynamics, umbrella sampling) and machine learning
-
, umbrella sampling), applied to molecular dynamics data obtained with a machine-learned interatomic potential. Emphasis will be placed on investigating the transferability of such models depending
Searches related to molecular dynamics
Enter an email to receive alerts for molecular-dynamics positions