Optimized expanded ensembles for simulations involving molecular insertions and deletions. I. Closed systems.
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Converging free energies of binding in cucurbit[7]uril and octa-acid host-guest systems from SAMPL4 using expanded ensemble simulations.Evaluation of the grand-canonical partition function using expanded Wang-Landau simulations. IV. Performance of many-body force fields and tight-binding schemes for the fluid phases of silicon.Theory of Adaptive Optimization for Umbrella Sampling.Evaluation of the grand-canonical partition function using expanded Wang-Landau simulations. III. Impact of combining rules on mixtures properties.Evaluation of the grand-canonical partition function using expanded Wang-Landau simulations. I. Thermodynamic properties in the bulk and at the liquid-vapor phase boundary.Optimization of expanded ensemble methods.Optimizing the sampling and staging for simulations of rare events via forward flux sampling schemes.Optimized expanded ensembles for simulations involving molecular insertions and deletions. II. Open systems.An efficient umbrella potential for the accurate calculation of free energies by molecular simulation.An optimized replica exchange molecular dynamics method.Critical Casimir interactions and colloidal self-assembly in near-critical solvents.Mapping coexistence lines via free-energy extrapolation: application to order-disorder phase transitions of hard-core mixtures.Impact of Friedel oscillations on vapor-liquid equilibria and supercritical properties in two and three dimensionsAdsorption and diffusion of the antiparkinsonian drug amantadine in carbon nanotubesAdsorption of hydrogen in covalent organic frameworks using expanded Wang–Landau simulationsEvaluation of the grand-canonical partition function using expanded Wang-Landau simulations. II. Adsorption of atomic and molecular fluids in a porous material
P2860
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P2860
Optimized expanded ensembles for simulations involving molecular insertions and deletions. I. Closed systems.
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2007 nî lūn-bûn
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2007年の論文
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2007年学术文章
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2007年学术文章
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2007年学术文章
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name
Optimized expanded ensembles f ...... deletions. I. Closed systems.
@en
Optimized expanded ensembles f ...... deletions. I. Closed systems.
@nl
type
label
Optimized expanded ensembles f ...... deletions. I. Closed systems.
@en
Optimized expanded ensembles f ...... deletions. I. Closed systems.
@nl
prefLabel
Optimized expanded ensembles f ...... deletions. I. Closed systems.
@en
Optimized expanded ensembles f ...... deletions. I. Closed systems.
@nl
P2860
P356
P1476
Optimized expanded ensembles f ...... deletions. I. Closed systems.
@en
P2093
Fernando A Escobedo
Francisco J Martínez-Veracoechea
P2860
P304
P356
10.1063/1.2800320
P407
P577
2007-11-01T00:00:00Z