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CORC

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Ultrafast Electron Transfer with Symmetrical Quasi-classical Dynamics based on Mapping Hamiltonian and Quantum Dynamics based on ML-MCTDH 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 30, 期号: 6, 页码: 800-810
作者:  Zheng, Jie;  Xie, Yu;  Jiang, Sheng-shi;  Long, Yun-ze;  Ning, Xin
收藏  |  浏览/下载：29/0  |  提交时间：2018/09/06
Analysis of the Geometrical Evolution in On-the-Fly Surface-Hopping Nonadiabatic Dynamics with Machine Learning Dimensionality Reduction Approaches: Classical Multidimensional Scaling and Isometric Feature Mapping 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 10, 页码: 4611-4623
作者:  Li, Xusong;  Xie, Yu;  Hu, Deping;  Lan, Zhenggang
收藏  |  浏览/下载：31/0  |  提交时间：2017/12/04
Polarizable force field development for lipids and their efficient applications in membrane proteins 期刊论文
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, 2017, 卷号: 7, 期号: 5
作者:  Cao, Liaoran;  Peng, Xiangda;  Li, Guohui;  Chu, Huiying
收藏  |  浏览/下载：19/0  |  提交时间：2017/12/19
Efficient molecular dynamics simulations with many-body potentials on graphics processing units 期刊论文
Computer physics communications, 2017, 卷号: 218, 页码: 10-16
作者:  Fan, Zheyong;  Chen, Wei;  Vierimaa, Ville;  Harju, Ari
收藏  |  浏览/下载：71/0  |  提交时间：2019/05/09
Polarizable force field development for lipids and their efficient applications in membrane proteins 期刊论文
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, 2017, 卷号: 7, 期号: 5
作者:  Peng, Xiangda;  Chu, Huiying;  Cao, Liaoran;  Li, Guohui
收藏  |  浏览/下载：15/0  |  提交时间：2017/12/19
Evolution of nanoscale interstitial dislocation loops under coupling effect of stress and temperature 期刊论文
SCRIPTA MATERIALIA, 2017, 卷号: 136, 页码: 64-67
作者:  Gao, Ning;  Shen, Tielong;  Kurtz, Richard;  Wang, Zhiguang;  Gao, Fei
收藏  |  浏览/下载：10/0  |  提交时间：2018/05/31
Effect of reagent vibrational excitation on reaction of H + CH+ -> C+ + H-2 期刊论文
ACTA PHYSICA SINICA, 2017, 卷号: 66
作者:  Tang Xiao-Ping;  He Xiao-Hu;  Zhou Can-Hua;  Yang Yang
收藏  |  浏览/下载：20/0  |  提交时间：2017/10/29
An alternative laser driven photodissociation mechanism of pyrrole via (1)pi sigma*/S-0 conical intersection 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 146, 期号: 21
作者:  Nandipati, K. R.;  Lan, Z.;  Singh, H.;  Mahapatra, S.
收藏  |  浏览/下载：18/0  |  提交时间：2017/12/14
CHARMM-GUI 10 years for biomolecular modeling and simulation 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2017, 卷号: 38, 期号: 15, 页码: 1114-1124
作者:  Jo, Sunhwan;  Cheng, Xi;  Lee, Jumin;  Kim, Seonghoon;  Park, Sang-Jun
收藏  |  浏览/下载：21/0  |  提交时间：2019/01/08
Size effect in the bending of a Timoshenko nanobeam 期刊论文
ACTA MECHANICA, 2017, 卷号: 228, 期号: 6, 页码: 2363-2375
作者:  Jia N(贾宁);  Yao Y(姚寅);  Yang YZ(杨亚政);  Chen SH(陈少华)
收藏  |  浏览/下载：20/0  |  提交时间：2017/07/24

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