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qha: A Python package for quasiharmonic free energy calculation for multi-configuration systems.

Tian QinQi ZhangRenata M. WentzcovitchKoichiro Umemoto
Published in: Comput. Phys. Commun. (2019)
Keyphrases
  • free energy
  • similarity measure
  • distributed systems
  • belief propagation
  • computer vision
  • sample size
  • fixed point