Communication: Hybrid ensembles for improved force matching.

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Systematic improvement of a classical molecular model of water Fitting properties from density functional theory based molecular dynamics simulations to parameterize a rigid water force field.

P2860

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P2860

Communication: Hybrid ensembles for improved force matching.

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http://www.wikidata.org/entity/Q44829010

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2010 nî lūn-bûn

@nan

2010年の論文

@ja

2010年学术文章

@wuu

2010年学术文章

@zh

2010年学术文章

@zh-cn

2010年学术文章

@zh-hans

2010年学术文章

@zh-my

2010年学术文章

@zh-sg

2010年學術文章

@yue

2010年學術文章

@zh-hant

name

Communication: Hybrid ensembles for improved force matching.

@en

Communication: Hybrid ensembles for improved force matching.

@nl

type

Item

label

Communication: Hybrid ensembles for improved force matching.

@en

Communication: Hybrid ensembles for improved force matching.

@nl

prefLabel

Communication: Hybrid ensembles for improved force matching.

@en

Communication: Hybrid ensembles for improved force matching.

@nl

P1476

Communication: Hybrid ensembles for improved force matching.

@en

P2093

Lee-Ping Wang

http://www.w3.org/2001/XMLSchema#string

Troy Van Voorhis

http://www.w3.org/2001/XMLSchema#string

P2860

GROMACS: fast, flexible, and free

The missing term in effective pair potentials

Development of complex classical force fields through force matching to ab initio data: application to a room-temperature ionic liquid.

Advances in methods and algorithms in a modern quantum chemistry program package.

The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models.

Simultaneous fitting of a potential-energy surface and its corresponding force fields using feedforward neural networks.

Ab initio potential-energy surfaces for complex, multichannel systems using modified novelty sampling and feedforward neural networks.

Parametrization of analytic interatomic potential functions using neural networks.

Developing ab initio quality force fields from condensed phase quantum-mechanics/molecular-mechanics calculations through the adaptive force matching method.

Effective potentials from complex simulations: a potential-matching algorithm and remarks on coarse-grained potentials.

P304

231101

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P31

scholarly article

P356

10.1063/1.3519043

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English

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P478

133

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P577

2010-12-01T00:00:00Z

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P5875

49710367

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P698

21186847

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Communication: Hybrid ensembles for improved force matching.

about

P2860

P2860

Communication: Hybrid ensembles for improved force matching.

description

name

type

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prefLabel

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P577

P5875

P698

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P577

P5875

P698