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The dynamo library for molecular simulations using hybrid quantum mechanical and molecular mechanical potentials.
Martin J. Field
Marc Albe
Céline Bret
Flavien Proust-De Martin
Aline Thomas
Published in:
J. Comput. Chem. (2000)
Keyphrases
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molecular dynamics
quantum mechanics
molecular dynamics simulations
dna computing
three dimensional
mechanical design
van der waals
molecular structure
numerical simulations
drug discovery
data sets
higher order
evolutionary algorithm
pairwise
social networks
learning algorithm
genetic algorithm