Crystal-structure prediction via the floppy-box Monte Carlo algorithm: method and application to hard (non)convex particles.
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A possible four-phase coexistence in a single-component systemA simulation study on the phase behavior of hard rhombic platelets.Phase behavior of a family of truncated hard cubes.Phase diagram of octapod-shaped nanocrystals in a quasi-two-dimensional planar geometry.Low-Temperature Crystal Structures of the Hard Core Square Shoulder Model.Phase behaviour and gravity-directed self assembly of hard convex spherical caps.The stabilization of tubular crystals in mixtures of spherical particles.Explicit excluded volume of cylindrically symmetric convex bodies.Fundamental challenges in packing problems: from spherical to non-spherical particles.Phase diagram and structural diversity of a family of truncated cubes: degenerate close-packed structures and vacancy-rich states.Nested sampling of isobaric phase space for the direct evaluation of the isothermal-isobaric partition function of atomic systems.Water-like anomalies as a function of tetrahedrality.Steric self-assembly of laterally confined organic semiconductor molecule analogues.
P2860
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P2860
Crystal-structure prediction via the floppy-box Monte Carlo algorithm: method and application to hard (non)convex particles.
description
2012 nî lūn-bûn
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2012年の論文
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2012年学术文章
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2012年学术文章
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@zh-hans
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name
Crystal-structure prediction v ...... to hard (non)convex particles.
@en
Crystal-structure prediction v ...... method and application to hard
@nl
type
label
Crystal-structure prediction v ...... to hard (non)convex particles.
@en
Crystal-structure prediction v ...... method and application to hard
@nl
prefLabel
Crystal-structure prediction v ...... to hard (non)convex particles.
@en
Crystal-structure prediction v ...... method and application to hard
@nl
P2093
P2860
P356
P1476
Crystal-structure prediction v ...... to hard (non)convex particles.
@en
P2093
Joost de Graaf
Laura Filion
Matthieu Marechal
P2860
P304
P356
10.1063/1.4767529
P407
P577
2012-12-01T00:00:00Z