Efficient method for predicting crystal structures at finite temperature: variable box shape simulations.
about
Dense Regular Packings of Irregular Nonconvex ParticlesA possible four-phase coexistence in a single-component systemBinary nanoparticle superlattices of soft-particle systems.Depletion-driven crystallization of cubic colloids sedimented on a surfacePhase behavior of a family of truncated hard cubes.Phase diagram of octapod-shaped nanocrystals in a quasi-two-dimensional planar geometry.Fabrication of Colloidal Laves Phases via Hard Tetramers and Hard Spheres: Bulk Phase Diagram and Sedimentation Behavior.Enthalpy and entropy of nanoparticle association from temperature-dependent cryo-TEM.Low-Temperature Crystal Structures of the Hard Core Square Shoulder Model.Self-assembly of polyhedral metal-organic framework particles into three-dimensional ordered superstructures.Macroscopic chiral symmetry breaking in monolayers of achiral nonconvex platelets.Molecular dynamics based enhanced sampling of collective variables with very large time steps.Molecular simulation of homogeneous crystal nucleation of AB2 solid phase from a binary hard sphere mixture.Phase behaviour and gravity-directed self assembly of hard convex spherical caps.Phase and vacancy behaviour of hard "slanted" cubes.The stabilization of tubular crystals in mixtures of spherical particles.Irregular model DNA particles self-assemble into a regular structure.Dense crystalline packings of ellipsoids.Phase behavior of Janus colloids determined by sedimentation equilibrium.Crystal-structure prediction via the floppy-box Monte Carlo algorithm: method and application to hard (non)convex particles.Organizing principles for dense packings of nonspherical hard particles: not all shapes are created equal.Predicting patchy particle crystals: variable box shape simulations and evolutionary algorithms.Densest binary sphere packings.Phase diagram and structural diversity of a family of truncated cubes: degenerate close-packed structures and vacancy-rich states.Algorithm for constant-pressure Monte Carlo simulation of crystalline solids.Prediction of binary nanoparticle superlattices from soft potentials.Phase behavior and structure of colloidal bowl-shaped particles: simulations.Water-like anomalies as a function of tetrahedrality.Steric self-assembly of laterally confined organic semiconductor molecule analogues.The role of non-specific interactions in a patchy model of protein crystallizationSimulations: The dark side
P2860
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P2860
Efficient method for predicting crystal structures at finite temperature: variable box shape simulations.
description
2009 nî lūn-bûn
@nan
2009年の論文
@ja
2009年学术文章
@wuu
2009年学术文章
@zh
2009年学术文章
@zh-cn
2009年学术文章
@zh-hans
2009年学术文章
@zh-my
2009年学术文章
@zh-sg
2009年學術文章
@yue
2009年學術文章
@zh-hant
name
Efficient method for predictin ...... ariable box shape simulations.
@en
Efficient method for predictin ...... ariable box shape simulations.
@nl
type
label
Efficient method for predictin ...... ariable box shape simulations.
@en
Efficient method for predictin ...... ariable box shape simulations.
@nl
prefLabel
Efficient method for predictin ...... ariable box shape simulations.
@en
Efficient method for predictin ...... ariable box shape simulations.
@nl
P2093
P2860
P1476
Efficient method for predictin ...... variable box shape simulations
@en
P2093
Bas van Oorschot
Frank Smallenburg
Laura Filion
Matthieu Marechal
P2860
P304
P356
10.1103/PHYSREVLETT.103.188302
P407
P577
2009-10-29T00:00:00Z