This MARVEL school will cover the use of variationally enhanced sampling for obtaining free energies and kinetic rates both from classical and ab initio molecular dynamics. Other methods such as metadynamics will also be covered. Focus will be made on the use of these methods for applications related to materials science. The school will include hands-on tutorials using PLUMED 2 with various molecular dynamics codes.
The school is organized within the MARVEL NCRR and is open to all MARVEL personnel. In order to foster collaborative efforts within MARVEL the school will include a session where participants will be able to discuss MARVEL related projects in which they are interested in applying enhanced sampling methods.
The school is free of charge and accommodation costs are covered for MARVEL personnel.