相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Free energy surface of ST2 water near the liquid-liquid phase transition
Peter H. Poole et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water. II
David T. Limmer et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
From natural to artificial photosynthesis
James Barber et al.
JOURNAL OF THE ROYAL SOCIETY INTERFACE (2013)
Simulations: The dark side
D. Frenkel
EUROPEAN PHYSICAL JOURNAL PLUS (2013)
Local order parameters for use in driving homogeneous ice nucleation with all-atom models of water
Aleks Reinhardt et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Liquid-liquid transition in ST2 water
Yang Liu et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Metadynamics with Adaptive Gaussians
Davide Branduardi et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Efficient Free Energy Calculation of Biomolecules from Diffusion-Biased Molecular Dynamics
Sadanand Singh et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Density of States-Based Molecular Simulations
Sadanand Singh et al.
ANNUAL REVIEW OF CHEMICAL AND BIOMOLECULAR ENGINEERING, VOL 3 (2012)
Nanoscale Dynamics of Phase Flipping in Water near its Hypothesized Liquid-Liquid Critical Point
T. A. Kesselring et al.
SCIENTIFIC REPORTS (2012)
The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water
David T. Limmer et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Flux Tempered Metadynamics
Sadanand Singh et al.
JOURNAL OF STATISTICAL PHYSICS (2011)
Study of the ST2 model of water close to the liquid-liquid critical point
Francesco Sciortino et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Density hysteresis of heavy water confined in a nanoporous silica matrix
Yang Zhang et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2011)
Volume of supercooled water under pressure and the liquid-liquid critical point
Osamu Mishima
JOURNAL OF CHEMICAL PHYSICS (2010)
Pressure-induced structural phase transitions in CdSe: A metadynamics study
Clive Bealing et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Low-temperature fluid-phase behavior of ST2 water
Yang Liu et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Water Modeled As an Intermediate Element between Carbon and Silicon
Valeria Molinero et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2009)
A metadynamics-based approach to sampling crystallisation events
D. Quigley et al.
MOLECULAR SIMULATION (2009)
Metadynamics simulations of ice nucleation and growth
D. Quigley et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Statistically optimal analysis of samples from multiple equilibrium states
Michael R. Shirts et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Well-tempered metadynamics: A smoothly converging and tunable free-energy method
Alessandro Barducci et al.
PHYSICAL REVIEW LETTERS (2008)
NMR evidence of a sharp change in a measure of local order in deeply supercooled confined water
F. Mallamace et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2008)
Observation of the density minimum in deeply supercooled confined water
Dazhi Liu et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2007)
A bias-exchange approach to protein folding
Stefano Piana et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2007)
Accurate sampling using Langevin dynamics
Giovanni Bussi et al.
PHYSICAL REVIEW E (2007)
Quaternions in molecular modeling
Charles F. F. Karney
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2007)
Self-healing umbrella sampling: A non-equilibrium approach for quantitative free energy calculations
Simone Marsili et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
Efficient reconstruction of complex free energy landscapes by multiple walkers metadynamics
P Raiteri et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
Topological defects and bulk melting of hexagonal ice
D Donadio et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
Flexible docking in solution using metadynamics
FL Gervasio et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
Calculation of free energy through successive umbrella sampling
P Virnau et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Supercooled and glassy water
PG Debenedetti et al.
PHYSICS TODAY (2003)
Potential of mean force between a spherical particle suspended in a nematic liquid crystal and a substrate
EB Kim et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Thermodynamic properties of the NaCl+H2O system.: 4.: Heat capacities of H2O and NaCl(aq) in cold-stable and supercooled states
DG Archer et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2000)
Liquid-liquid critical point in heavy water
O Mishima
PHYSICAL REVIEW LETTERS (2000)