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。Insight into the nucleation of urea crystals from the melt
Federico Gibertihi et al.
CHEMICAL ENGINEERING SCIENCE (2015)
A Time-Independent Free Energy Estimator for Metadynamics
Pratyush Tiwary et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2015)
Molecular-dynamics simulations of urea nucleation from aqueous solution
Matteo Salvalaglio et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2015)
PLUMED 2: New feathers for an old bird
Gareth A. Tribello et al.
COMPUTER PHYSICS COMMUNICATIONS (2014)
Well-Tempered Metadynamics Converges Asymptotically
James F. Dama et al.
PHYSICAL REVIEW LETTERS (2014)
1,3,5-Tris(4-bromophenyl)benzene prenucleation clusters from metadynamics
Matteo Salvalaglio et al.
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS (2014)
Controlling and Predicting Crystal Shapes: The Case of Urea
Matteo Salvalaglio et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)
Molecular Level Insights on the Liquid-Solid Transition of Large Organics by Biased Monte Carlo Simulations
Angelo Gavezzotti
CRYSTAL GROWTH & DESIGN (2013)
Thermodynamical Description of a Quasi-First-Order Phase Transition from the Well-Tempered Ensemble
Omar Valsson et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Transient Polymorphism in NaCl
Federico Giberti et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Fast Crystallization of the Phase Change Compound GeTe by Large-Scale Molecular Dynamics Simulations
Gabriele C. Sosso et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2013)
Molecular Dynamics Simulation of Homogeneous Crystal Nucleation in Polyethylene
Peng Yi et al.
MACROMOLECULES (2013)
From Metadynamics to Dynamics
Pratyush Tiwary et al.
PHYSICAL REVIEW LETTERS (2013)
Ice nucleation at the nanoscale probes no man's land of water
Tianshu Li et al.
NATURE COMMUNICATIONS (2013)
Homogeneous Nucleation of Methane Hydrates: Unrealistic under Realistic Conditions
Brandon C. Knott et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)
Uncovering Molecular Details of Urea Crystal Growth in the Presence of Additives
Matteo Salvalaglio et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)
CRYSTAL NUCLEATION Nucleus in a droplet
Peter G. Vekilov
NATURE MATERIALS (2012)
Heterogeneous nucleation of organic crystals mediated by single-molecule templates
Koji Harano et al.
NATURE MATERIALS (2012)
Neural network interatomic potential for the phase change material GeTe
Gabriele C. Sosso et al.
PHYSICAL REVIEW B (2012)
Uncovering Molecular Processes in Crystal Nucleation and Growth by Using Molecular Simulation
Jamshed Anwar et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2011)
Can a computer crystallize a liquid? Molecular simulation of continuous trajectories from liquid to crystalline n-hexane
Angelo Gavezzotti
CRYSTENGCOMM (2011)
Sampling the structure of calcium carbonate nanoparticles with metadynamics
D. Quigley et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
A general set of order parameters for molecular crystals
Erik E. Santiso et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Computer Simulations of Homogeneous Nucleation of Benzene from the Melt
Manas Shah et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2011)
Structural transformation in supercooled water controls the crystallization rate of ice
Emily B. Moore et al.
NATURE (2011)
Homogeneous ice nucleation from supercooled water
Tianshu Li et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Role of the Prestructured Surface Cloud in Crystal Nucleation
Wolfgang Lechner et al.
PHYSICAL REVIEW LETTERS (2011)
Structural Control of Crystal Nuclei by an Eggshell Protein
Colin L. Freeman et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2010)
Direct Observation of Nucleation and Growth in Amyloid Self-Assembly
Yan Liang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Water Is the Key to Nonclassical Nucleation of Amorphous Calcium Carbonate
Paolo Raiteri et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Solid-liquid interface free energy through metadynamics simulations
Stefano Angioletti-Uberti et al.
PHYSICAL REVIEW B (2010)
Enhanced Sampling in the Well-Tempered Ensemble
M. Bonomi et al.
PHYSICAL REVIEW LETTERS (2010)
PLUMED: A portable plugin for free-energy calculations with molecular dynamics
Massimiliano Bonomi et al.
COMPUTER PHYSICS COMMUNICATIONS (2009)
Competing nucleation pathways in a mixture of oppositely charged colloids: Out-of-equilibrium nucleation revisited
Baron Peters
JOURNAL OF CHEMICAL PHYSICS (2009)
Reconstructing the Equilibrium Boltzmann Distribution from Well-Tempered Metadynamics
M. Bonomi et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2009)
A Molecular Dynamics Study of the Early Stages of Calcium Carbonate Growth
Gareth A. Tribello et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2009)
Water Modeled As an Intermediate Element between Carbon and Silicon
Valeria Molinero et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2009)
Forward flux sampling for rare event simulations
Rosalind J. Allen et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2009)
Free energy and structure of calcium carbonate nanoparticles during early stages of crystallization
D. Quigley et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Metadynamics simulations of ice nucleation and growth
D. Quigley et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Amorphous calcium carbonate biomineralization in the earthworm's calciferous gland:: Pathways to the formation of crystalline phases
L. Gago-Duport et al.
JOURNAL OF STRUCTURAL BIOLOGY (2008)
Well-tempered metadynamics: A smoothly converging and tunable free-energy method
Alessandro Barducci et al.
PHYSICAL REVIEW LETTERS (2008)
Generalized neural-network representation of high-dimensional potential-energy surfaces
Joerg Behler et al.
PHYSICAL REVIEW LETTERS (2007)
Nucleation: theory and applications to protein solutions and colloidal suspensions
Richard P. Sear
JOURNAL OF PHYSICS-CONDENSED MATTER (2007)
Freezing of a Lennard-Jones fluid: From nucleation to spinodal regime
Federica Trudu et al.
PHYSICAL REVIEW LETTERS (2006)
Self-healing umbrella sampling: A non-equilibrium approach for quantitative free energy calculations
Simone Marsili et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
Equilibrium free energies from nonequilibrium metadynamics
G Bussi et al.
PHYSICAL REVIEW LETTERS (2006)
Efficient reconstruction of complex free energy landscapes by multiple walkers metadynamics
P Raiteri et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
The challenge of biominerals to simulations
JH Harding et al.
JOURNAL OF MATERIALS CHEMISTRY (2006)
Interplay between structure and size in a critical crystal nucleus
D Moroni et al.
PHYSICAL REVIEW LETTERS (2005)
Rate of homogeneous crystal nucleation in molten NaCl
C Valeriani et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Parallel tempering: Theory, applications, and new perspectives
DJ Earl et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
Atomistic mechanism of NaCl nucleation from an aqueous solution
D Zahn
PHYSICAL REVIEW LETTERS (2004)
Simulation of organic monolayers as templates for the nucleation of calcite crystals
DM Duffy et al.
LANGMUIR (2004)
Dense liquid precursor for the nucleation of ordered solid phases from solution
PG Vekilov
CRYSTAL GROWTH & DESIGN (2004)
Nucleation of hexagonal ice (Ih) in liquid water
R Radhakrishnan et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)
Transition path sampling on diffusive barriers
PG Bolhuis
JOURNAL OF PHYSICS-CONDENSED MATTER (2003)
Escaping free-energy minima
A Laio et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2002)
Direct observation of defect-mediated cluster nucleation
U Kaiser et al.
NATURE MATERIALS (2002)
Molecular dynamics simulation of the ice nucleation and growth process leading to water freezing
M Matsumoto et al.
NATURE (2002)
Real-space imaging of nucleation and growth in colloidal crystallization
U Gasser et al.
SCIENCE (2001)
Direct observation of vapor-liquid-solid nanowire growth
YY Wu et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)
Prediction of absolute crystal-nucleation rate in hard-sphere colloids
S Auer et al.
NATURE (2001)
Water activity as the determinant for homogeneous ice nucleation in aqueous solutions
T Koop et al.
NATURE (2000)