about
Bayesian model comparison and parameter inference in systems biology using nested samplingFirst Principles Neural Network Potentials for Reactive Simulations of Large Molecular and Condensed Systems.Extending the parQ transition matrix method to grand canonical ensembles.Exploring the energy landscapes of protein folding simulations with Bayesian computation.Nested sampling in the canonical ensemble: direct calculation of the partition function from NVT trajectories.Sigma method for the microcanonical entropy or density of states.Constant-pressure nested sampling with atomistic dynamics.Reverse energy partitioning-An efficient algorithm for computing the density of states, partition functions, and free energy of solids.Conformational ensembles and sampled energy landscapes: Analysis and comparison.Nested sampling for materials: the case of hard spheres.Perturbation method to calculate the density of states.Nested sampling of isobaric phase space for the direct evaluation of the isothermal-isobaric partition function of atomic systems.Thermodynamics of CuPt nanoalloys.Superposition Enhanced Nested Sampling
P2860
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P2860
description
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
Efficient sampling of atomic configurational spaces.
@en
Efficient sampling of atomic configurational spaces.
@nl
type
label
Efficient sampling of atomic configurational spaces.
@en
Efficient sampling of atomic configurational spaces.
@nl
prefLabel
Efficient sampling of atomic configurational spaces.
@en
Efficient sampling of atomic configurational spaces.
@nl
P2093
P356
P1476
Efficient sampling of atomic configurational spaces.
@en
P2093
Albert P Bartók
Gábor Csányi
Lívia B Pártay
P304
10502-10512
P356
10.1021/JP1012973
P407
P577
2010-08-01T00:00:00Z