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Direct Free Energy Estimates along a Real Path by Means of Constrained Molecular Dynamics
Direct Free Energy Estimates along a Real Path by Means of Constrained Molecular Dynamics
1996
Marc Hou
A. Hairie
B. Lebouvier
E. Paumier
N. Ralantoson
O.B.M. Hardouin Duparc
A. P. Sutton
Keywords:
Computational chemistry
Molecular dynamics
Materials science
Silicon
Statistical physics
Classical mechanics
Composite material
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