An adaptive genetic algorithm for crystal structure prediction
An adaptive genetic algorithm for crystal structure prediction
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晶体结构预测的自适应遗传算法
DOI:
10.1088/0953-8984/26/3/035402
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发表时间:
2013-09
期刊:
影响因子:
--
通讯作者:
Ho, K. M.
中科院分区:
文献类型:
--
作者:
Wu, S. Q.;Ji, M.;Wang, C. Z.;Nguyen, M. C.;Zhao, X.;Umemoto, K.;Wentzcovitch, R. M.;Ho, K. M.
We present a genetic algorithm (GA) for structural search that combines the speed of structure exploration by classical potentials with the accuracy of density functional theory (DFT) calculations in an adaptive and iterative way. This strategy increases
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影响因子:
8.6
作者:
DEAVEN, DM;HO, KM
通讯作者:
HO, KM
DOI:
10.1039/b709943f
发表时间:
2007-11
期刊:
Physical chemistry chemical physics : PCCP
影响因子:
--
作者:
Klaus Doll;J. C. Schön;Martin Jansen
通讯作者:
Klaus Doll;J. C. Schön;Martin Jansen
影响因子:
6.3
作者:
Wang, Yanchao;Lv, Jian;Ma, Yanming
通讯作者:
Ma, Yanming
影响因子:
64.8
作者:
L. Wille
通讯作者:
L. Wille
影响因子:
3.7
作者:
Kresse, G;Furthmuller, J
通讯作者:
Furthmuller, J