Energy versus free-energy conservation in first-principles molecular dynamics

Renata M. Wentzcovitch, José Luís Martins, Philip B. Allen

Research output: Contribution to journalArticlepeer-review

178 Scopus citations

Fingerprint

Dive into the research topics of 'Energy versus free-energy conservation in first-principles molecular dynamics'. Together they form a unique fingerprint.

Physics & Astronomy

Engineering & Materials Science

Chemical Compounds