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Calculating the free energy of nearly jammed hard-particle packings using molecular dynamics.
Aleksandar Donev
Frank H. Stillinger
Salvatore Torquato
Published in:
J. Comput. Phys. (2007)
Keyphrases
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free energy
molecular dynamics
belief propagation
molecular dynamics simulations
high performance computing
fixed point
scientific data
upper bound
competitive learning
posterior distribution
protein folding
approximate inference
fluid flow
numerical simulations
machine learning
data analysis