Ensamble Sampling for Lattice Dynamics

Paweł T. Jochym; Jan Łażewski

doi:10.3390/proceedings2019026052

Proceedings (Sep 2019)

Ensamble Sampling for Lattice Dynamics

Paweł T. Jochym,
Jan Łażewski

Affiliations

Paweł T. Jochym: Department of Computational Materials Science, Institute of Nuclear Physics PAS, ul. Radzikowskiego 152, 31-342 Kraków, Poland
Jan Łażewski: Department of Computational Materials Science, Institute of Nuclear Physics PAS, ul. Radzikowskiego 152, 31-342 Kraków, Poland

DOI: https://doi.org/10.3390/proceedings2019026052
Journal volume & issue: Vol. 26, no. 1
p. 52

Abstract

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Computational investigation of anharmonic and temperature-dependent aspects of lattice dynamics requires, among other things, replication of the conditions of thermal equilibrium. [...]

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Published in Proceedings

ISSN: 2504-3900 (Online)
Publisher: MDPI AG
Country of publisher: Switzerland
LCC subjects: General Works
Website: http://www.mdpi.com/journal/proceedings

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