Classical reactive molecular dynamics implementations: state of the art.

Classical reactive molecular dynamics implementations: state of the art.

Item
http://www.wikidata.org/entity/Q37979734
First-Principles Monte Carlo Simulations of Reaction Equilibria in Compressed VaporsCheap but accurate calculation of chemical reaction rate constants from ab initio data, via system-specific, black-box force fields.First principles-based multiparadigm, multiscale strategy for simulating complex materials processes with applications to amorphous SiC films.ReaxFF molecular dynamics simulations of CO collisions on an O-preadsorbed silica surface.Dynamics of proteins aggregation. I. Universal scaling in unbounded media.Reactive symbol sequences for a model of hydrogen combustion.Full dimensional potential energy surface and low temperature dynamics of the H2CO + OH → HCO + H2O reaction.A kinetic chain growth algorithm in coarse-grained simulations.A parallel algorithm for step- and chain-growth polymerization in molecular dynamics.Reactive molecular dynamics simulations of switching processes of azobenzene-based monolayer on surface.The glass transition in cured epoxy thermosets: A comparative molecular dynamics study in coarse-grained and atomistic resolution.Comparing the mechanical response of di-, tri-, and tetra-functional resin epoxies with reactive molecular dynamicsReactive force fields made simpleAtomistic simulations of reactive processes in the gas- and condensed-phase
P2860

Classical reactive molecular dynamics implementations: state of the art.

Item
http://www.wikidata.org/entity/Q37979734
description
article científic
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article scientifique
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articol științific
@ro
articolo scientifico
@it
artigo científico
@gl
artigo científico
@pt
artigo científico
@pt-br
artikel ilmiah
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artikull shkencor
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artículo científico
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name
Classical reactive molecular dynamics implementations: state of the art.
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Classical reactive molecular dynamics implementations: state of the art.
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type
label
Classical reactive molecular dynamics implementations: state of the art.
@en
Classical reactive molecular dynamics implementations: state of the art.
@nl
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Classical reactive molecular dynamics implementations: state of the art.
@en
Classical reactive molecular dynamics implementations: state of the art.
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P433
P478
P577
P698
P356
P1433
P1476
Classical reactive molecular dynamics implementations: state of the art.
@en
P2093
P2860
P304
P31
P356
P433
P478
P577
P698