Free energy calculations from adaptive molecular dynamics simulations with adiabatic reweighting

被引:1
|
作者
Cao, Lingling [1 ]
Stoltz, Gabriel [2 ]
Lelievre, Tony [2 ]
Marinica, Mihai-Cosmin [1 ]
Athenes, Manuel [1 ]
机构
[1] CEA, DEN, Serv Rech Met Phys, F-91191 Gif Sur Yvette, France
[2] Univ Paris Est, CERMICS, ENPC, INRIA, F-77455 Marne La Vallee, France
来源
JOURNAL OF CHEMICAL PHYSICS | 2014年 / 140卷 / 12期
关键词
D O I
10.1063/1.4870094
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页数:1
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