Forward flux sampling-type schemes for simulating rare events: Efficiency analysis
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Sequential data assimilation for single-molecule FRET photon-counting data.Effects of macromolecular crowding on genetic networks.MOIL-opt: Energy-Conserving Molecular Dynamics on a GPU/CPU systemDirect calculation of ice homogeneous nucleation rate for a molecular model of water.Perspective: Computer simulations of long time dynamicsUsing Bayes formula to estimate rates of rare events in transition path sampling simulations.Computational investigation of surface freezing in a molecular model of waterEnhanced heterogeneous ice nucleation by special surface geometry.Efficient stochastic simulation of chemical kinetics networks using a weighted ensemble of trajectories.Steady-state simulations using weighted ensemble path sampling.An adaptive weighted ensemble procedure for efficient computation of free energies and first passage rates.Folding kinetics of a lattice protein via a forward flux sampling approach.Reaction coordinates for the flipping of genetic switches.Nucleation of tetrahedral solids: A molecular dynamics study of supercooled liquid silicon.Milestoning with coarse memory.Ice nucleation at the nanoscale probes no man's land of water.Automatic, optimized interface placement in forward flux sampling simulations.Kinetics and reaction coordinate for the isomerization of alanine dipeptide by a forward flux sampling protocol.Computation of transit times using the milestoning method with applications to polymer translocation.Numerical tests of nucleation theories for the Ising models.Stacking disorder in ice I.Nucleation mechanism of clathrate hydrates of water-soluble guest molecules.Optimizing the sampling and staging for simulations of rare events via forward flux sampling schemes.Perspective: Surface freezing in water: A nexus of experiments and simulations.Free energy landscape and molecular pathways of gas hydrate nucleation.Efficient dynamical correction of the transition state theory rate estimate for a flat energy barrier.Anisotropic stress inhibits crystallization in Cu-Zr glass-forming liquids.Reaction coordinates and transition pathways of rare events via forward flux sampling.Spontaneous formation of large clusters in a lattice gas above the critical point.Nudged-elastic band used to find reaction coordinates based on the free energy.A local superbasin kinetic Monte Carlo method.Optimizing transition interface sampling simulations.Computational investigation of structure, dynamics and nucleation kinetics of a family of modified Stillinger-Weber model fluids in bulk and free-standing thin films.Simultaneous estimation of free energies and rates using forward flux sampling and mean first passage times.Computation of nucleation at a nonequilibrium first-order phase transition using a rare-event algorithm.Kinetics and mechanism of the unfolding native-to-loop transition of Trp-cage in explicit solvent via optimized forward flux sampling simulations.Noise induces rare events in granular media.Multiscale enhanced path sampling based on the Onsager-Machlup action: application to a model polymer.Nonequilibrium umbrella sampling in spaces of many order parameters.Homogeneous nucleation under shear in a two-dimensional Ising model: cluster growth, coalescence, and breakup.
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Forward flux sampling-type schemes for simulating rare events: Efficiency analysis
description
article
@en
im Mai 2006 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в травні 2006
@uk
name
Forward flux sampling-type schemes for simulating rare events: Efficiency analysis
@en
Forward flux sampling-type schemes for simulating rare events: Efficiency analysis
@nl
type
label
Forward flux sampling-type schemes for simulating rare events: Efficiency analysis
@en
Forward flux sampling-type schemes for simulating rare events: Efficiency analysis
@nl
prefLabel
Forward flux sampling-type schemes for simulating rare events: Efficiency analysis
@en
Forward flux sampling-type schemes for simulating rare events: Efficiency analysis
@nl
P2860
P50
P356
P1476
Forward flux sampling-type schemes for simulating rare events: efficiency analysis
@en
P2093
Pieter Rein ten Wolde
P2860
P304
P356
10.1063/1.2198827
P407
P577
2006-05-01T00:00:00Z
P698
P818
cond-mat/0602269