classical molecular dynamic
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Charge-Changing Perturbations and Path Sampling via Classical Molecular Dynamic Simulations of Simple Guest–Host Systems

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.0c00719 ◽

2020 ◽

Vol 16 (12) ◽

pp. 7721-7734

Author(s):

Christoph Öhlknecht ◽

Jan Walther Perthold ◽

Bettina Lier ◽

Chris Oostenbrink

Keyword(s):

Molecular Dynamic ◽

Molecular Dynamic Simulations ◽

Path Sampling ◽

Dynamic Simulations ◽

Classical Molecular Dynamic

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On the interatomic interaction potential that describes bond weakening in classical molecular-dynamic modelling

Journal of Optical Technology ◽

10.1364/jot.81.000254 ◽

2014 ◽

Vol 81 (5) ◽

pp. 254 ◽

Cited By ~ 5

Author(s):

V. P. Lipp ◽

D. S. Ivanov ◽

B. Rethfeld ◽

M. E. Garcia

Keyword(s):

Molecular Dynamic ◽

Interaction Potential ◽

Dynamic Modelling ◽

Interatomic Interaction ◽

Interatomic Interaction Potential ◽

Classical Molecular Dynamic

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Classical molecular dynamic simulation of (111) Si and Al surface sputtering under bombardment by polyatomic clusters

Journal of Surface Investigation X-ray Synchrotron and Neutron Techniques ◽

10.1134/s102745101203010x ◽

2012 ◽

Vol 6 (2) ◽

pp. 229-235 ◽

Cited By ~ 3

Author(s):

P. Yu. Grigor’ev ◽

E. E. Zhurkin

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Classical Molecular Dynamic ◽

Classical Molecular Dynamic Simulation ◽

Surface Sputtering

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Water–silica surface interactions: A combined quantum-classical molecular dynamic study of energetics and reaction pathways

The Journal of Chemical Physics ◽

10.1063/1.1614211 ◽

2003 ◽

Vol 119 (13) ◽

pp. 6418-6422 ◽

Cited By ~ 65

Author(s):

Mao-Hua Du ◽

Andrew Kolchin ◽

Hai-Ping Cheng

Keyword(s):

Molecular Dynamic ◽

Silica Surface ◽

Surface Interactions ◽

Dynamic Study ◽

Reaction Pathways ◽

Classical Molecular Dynamic ◽

Molecular Dynamic Study

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