Open AccessGeneralized evolutionary metadynamics for sampling the energy landscapes and its applications
Author(s) -
Qiang Zhu,
Artem R. Oganov,
Andriy O. Lyakhov,
Xiao-Xiang Yu
Publication year - 2015
Publication title -
physical review b
Language(s) - English
Resource type - Journals
eISSN - 1538-4489
pISSN - 1098-0121
DOI - 10.1103/physrevb.92.024106
Subject(s) - metadynamics , metastability , energy landscape , phase transition , crystal structure prediction , energy (signal processing) , statistical physics , order (exchange) , materials science , phase (matter) , computer science , crystal structure , chemical physics , topology (electrical circuits) , physics , molecular dynamics , condensed matter physics , thermodynamics , crystallography , mathematics , quantum mechanics , chemistry , combinatorics , finance , economics
Qiang Zhu,1,* Artem R. Oganov,2,1,3 Andriy O. Lyakhov,1 and Xiaoxiang Yu4 1Department of Geosciences, Center for Materials by Design, and Institute for Advanced Computational Science, Stony Brook University, Stony Brook, New York 11794, USA 2Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, Bldg. 3, Moscow 143026, Russia 3Department of Problems of Physics and Energetics, Moscow Institute of Physics and Technology, 9 Institutskiy Lane, Dolgoprudny City, Moscow Region 141700, Russia 4Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, USA (Received 22 December 2014; revised manuscript received 27 May 2015; published 13 July 2015)
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