about
Entropy-driven formation of chiral nematic phases by computer simulations.Critical assessment of the evidence for striped nanoparticlesModeling and enhanced sampling of molecular systems with smooth and nonlinear data-driven collective variables.Validation of Molecular Simulation: An Overview of Issues.Charting molecular free-energy landscapes with an atlas of collective variables.Simulating the pitch sensitivity of twisted nematics of patchy rods.Communication: Evidence for non-ergodicity in quiescent states of periodically sheared suspensions.Cholesterics of colloidal helices: predicting the macroscopic pitch from the particle shape and thermodynamic state.Direct calculation of the solid-liquid Gibbs free energy difference in a single equilibrium simulation.A study of the ice-water interface using the TIP4P/2005 water model.Density functional theory for chiral nematic liquid crystals.On fluid-solid direct coexistence simulations: the pseudo-hard sphere model.Interplay of fast and slow dynamics in rare transition pathways: The disk-to-slab transition in the 2d Ising model.High precision determination of the melting points of water TIP4P/2005 and water TIP4P/Ice models by the direct coexistence technique.Cholesteric and screw-like nematic phases in systems of helical particles.Spontaneous NaCl-doped ice at seawater conditions: focus on the mechanisms of ion inclusion.Dimensional dependence of the Stokes-Einstein relation and its violation.The liquid-liquid transition in supercooled ST2 water: a comparison between umbrella sampling and well-tempered metadynamics.On the ambiguity of conformational states: A B&S-LEUS simulation study of the helical conformations of decaalanine in water.Impact of the timestep in some molecular dynamics simulations on compression of granular systems.Mechanism of two-step vapour–crystal nucleation in a pore
P2860
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P2860
description
wetenschappelijk artikel
@nl
наукова стаття, опублікована в січні 2013
@uk
name
Simulations: The dark side
@en
Simulations: The dark side
@nl
type
label
Simulations: The dark side
@en
Simulations: The dark side
@nl
prefLabel
Simulations: The dark side
@en
Simulations: The dark side
@nl
P2860
P356
P1476
Simulations: The dark side
@en
P2860
P2888
P356
10.1140/EPJP/I2013-13010-8
P50
P577
2013-01-01T00:00:00Z
P6179
1022641324