Python Framework for Direct Coupling of First-Principles Calculation with Replica Exchange Monte Carlo Sampling of Ion Disorder in Solids
Python Framework for Direct Coupling of First-Principles Calculation with Replica Exchange Monte Carlo Sampling of Ion Disorder in Solids
复制标题
用于将第一原理计算与固体中离子无序的副本交换蒙特卡洛采样直接耦合的 Python 框架
DOI:
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发表时间:
2019
期刊:
影响因子:
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通讯作者:
Shusuke Kasamatsu and Osamu Sugino
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文献类型:
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作者:
Shusuke Kasamatsu and Osamu Sugino