Efficient calculation of free energy differences associated with isotopic substitution using path-integral molecular dynamics

Ondrej Marsalek, Pei Yang Chen, Romain Dupuis, Magali Benoit, Merlin Méheut, Zlatko Bačić, Mark E. Tuckerman

Research output: Contribution to journalArticlepeer-review

Fingerprint

Dive into the research topics of 'Efficient calculation of free energy differences associated with isotopic substitution using path-integral molecular dynamics'. Together they form a unique fingerprint.

Physics & Astronomy

Engineering & Materials Science

Chemical Compounds