Molecular Dynamics Methods for Bioelectronic Systems in Photosynthesis

2008 ◽  
pp. 445-464 ◽  
Author(s):  
Ioan Kosztin ◽  
Klaus Schulten
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Methods

Drug Discovery and Molecular Dynamics: Methods, Applications and Perspective Beyond the Second Timescale

2017 ◽  
Vol 17 (23) ◽  
Author(s):  
Gerard Martínez-Rosell ◽  
Toni Giorgino ◽  
Matt J. Harvey ◽  
Gianni de Fabritiis
Keyword(s):  
Molecular Dynamics ◽  
Drug Discovery ◽  
Molecular Dynamics Methods

Microstructure evolution and plastic deformation of Ni47Co53 alloy under tension

CrystEngComm ◽  
2022 ◽  
Author(s):  
ruibo ma ◽  
Lili Zhou ◽  
Yong-Chao Liang ◽  
Ze-an Tian ◽  
Yun-Fei Mo ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Plastic Deformation ◽  
Rapid Solidification ◽  
Microstructural Evolution ◽  
Microstructure Evolution ◽  
Cooling Rates ◽  
Solidification Processes ◽  
Molecular Dynamics Methods

To investigate microstructural evolution and plastic deformation under tension conditions, the rapid solidification processes of Ni47Co53 alloy are first simulated by molecular dynamics methods at cooling rates of 1011, 1012...

Chapter 4 Accelerated Molecular Dynamics Methods: Introduction and Recent Developments

2009 ◽  
pp. 79-98 ◽  
Author(s):  
Danny Perez ◽  
Blas P. Uberuaga ◽  
Yunsic Shim ◽  
Jacques G. Amar ◽  
Arthur F. Voter
Keyword(s):  
Molecular Dynamics ◽  
Accelerated Molecular Dynamics ◽  
Recent Developments ◽  
Molecular Dynamics Methods
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