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Homogeneous nucleation of NaCl in supersaturated solutions

Physical chemistry chemical physics : PCCP, 2021-12, Vol.23 (47), p.26843-26852

2021

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Determination of phase diagrams via computer simulation: methodology and applications to water, electrolytes and proteins

Journal of physics. Condensed matter, 2008-04, Vol.20 (15), p.153101-153101 (38)

2008

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Heat capacity of water: A signature of nuclear quantum effects

The Journal of chemical physics, 2010-01, Vol.132 (4), p.046101-046101-2

2010

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The phase diagram of water at high pressures as obtained by computer simulations of the TIP4P/2005 model : the appearance of a plastic crystal phase

Physical chemistry chemical physics : PCCP, 2009-01, Vol.11 (3), p.543-555

2009

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Maximum in density of electrolyte solutions: Learning about ion–water interactions and testing the Madrid-2019 force field

The Journal of chemical physics, 2022-04, Vol.156 (15), p.154502-154502

2022

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Phase diagram of the NaCl–water system from computer simulations

The Journal of chemical physics, 2022-02, Vol.156 (6), p.064505-064505

2022

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The Young–Laplace equation for a solid–liquid interface

The Journal of chemical physics, 2020-11, Vol.153 (19), p.191102-191102

2020

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Quantum effects on the maximum in density of water as described by the TIP4PQ/2005 model

The Journal of chemical physics, 2009-09, Vol.131 (12), p.124518-124518

2009

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Homogeneous nucleation rate of methane hydrate formation under experimental conditions from seeding simulations

The Journal of chemical physics, 2023-03, Vol.158 (11), p.114505-114505

2023

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Free energy calculations for molecular solids using GROMACS

The Journal of chemical physics, 2013-07, Vol.139 (3), p.034104-034104

2013

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Properties of ices at 0 K: A test of water models

The Journal of chemical physics, 2007-10, Vol.127 (15), p.154518-154518-10

2007

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Temperature of maximum density and excess thermodynamics of aqueous mixtures of methanol

The Journal of chemical physics, 2016-05, Vol.144 (18), p.184505-184505

2016

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Computing the free energy of molecular solids by the Einstein molecule approach: ices XIII and XIV, hard-dumbbells and a patchy model of proteins

The Journal of chemical physics, 2008-09, Vol.129 (10), p.104704-104704

2008

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Phase diagram of model anisotropic particles with octahedral symmetry

The Journal of chemical physics, 2007-08, Vol.127 (5), p.054501-054501-11

2007

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Reverse Monte Carlo modeling in confined systems

The Journal of chemical physics, 2014-01, Vol.140 (2), p.024504-024504

2014

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Three-dimensional patchy lattice model for empty fluids

The Journal of chemical physics, 2012-12, Vol.137 (24), p.244902-244902

2012

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Noncollinear magnetic order in the six-atom Mn cluster

The Journal of chemical physics, 2005-06, Vol.122 (22), p.226102-226102

2005

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Geometric magic numbers of sodium clusters : Interpretation of the melting behaviour

The European physical journal. D, Atomic, molecular and optical physics (Print), 2007-07, Vol.43 (1-3), p.57-60

2007

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Phase transitions of a lattice model for patchy particles with tetrahedral symmetry

Molecular physics, 2011-01, Vol.109 (1), p.65-74

2011

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Equation of State, Thermal Expansion Coefficient, and Isothermal Compressibility for Ices Ih, II, III, V, and VI, as Obtained from Computer Simulation

Journal of physical chemistry. C, 2007-11, Vol.111 (43), p.15877-15888

2007

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Amorphization of Ni–Al alloys by fast quenching from the liquid state: a molecular dynamics study

Journal of non-crystalline solids, 2002-02, Vol.298 (1), p.60-66

2002

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Molecular simulation and adsorption studies of n-hexane in ZSM-11 zeolites

Microporous and mesoporous materials, 2011-06, Vol.142 (1), p.258-267

2011

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A density-functional study of the structures, binding energies and total spins of Ni-Fe clusters using nonlocal norm-conserving pseudopotentials and the generalized gradient approximation

The Journal of chemical physics, 2005-02, Vol.122 (8), p.84311-84311

2005

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Simulation and theoretical analysis of the origin of the temperature of maximum density of water

Fluid phase equilibria, 2022-09, Vol.560, p.113515, Article 113515

2022

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Structural transitions and bilayer formation of CTAB aggregates

Colloids and surfaces. A, Physicochemical and engineering aspects, 2019-11, Vol.580, p.123730, Article 123730

2019

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Homogeneous nucleation of NaCl in supersaturated solutions

Determination of phase diagrams via computer simulation: methodology and applications to water, electrolytes and proteins

Heat capacity of water: A signature of nuclear quantum effects

The phase diagram of water at high pressures as obtained by computer simulations of the TIP4P/2005 model : the appearance of a plastic crystal phase

Maximum in density of electrolyte solutions: Learning about ion–water interactions and testing the Madrid-2019 force field

Phase diagram of the NaCl–water system from computer simulations

The Young–Laplace equation for a solid–liquid interface

Quantum effects on the maximum in density of water as described by the TIP4PQ/2005 model

Homogeneous nucleation rate of methane hydrate formation under experimental conditions from seeding simulations

Free energy calculations for molecular solids using GROMACS

Properties of ices at 0 K: A test of water models

Temperature of maximum density and excess thermodynamics of aqueous mixtures of methanol

Computing the free energy of molecular solids by the Einstein molecule approach: ices XIII and XIV, hard-dumbbells and a patchy model of proteins

Phase diagram of model anisotropic particles with octahedral symmetry

Reverse Monte Carlo modeling in confined systems

Three-dimensional patchy lattice model for empty fluids

Noncollinear magnetic order in the six-atom Mn cluster

Geometric magic numbers of sodium clusters : Interpretation of the melting behaviour

Phase transitions of a lattice model for patchy particles with tetrahedral symmetry

Equation of State, Thermal Expansion Coefficient, and Isothermal Compressibility for Ices Ih, II, III, V, and VI, as Obtained from Computer Simulation

Amorphization of Ni–Al alloys by fast quenching from the liquid state: a molecular dynamics study

Molecular simulation and adsorption studies of n-hexane in ZSM-11 zeolites

A density-functional study of the structures, binding energies and total spins of Ni-Fe clusters using nonlocal norm-conserving pseudopotentials and the generalized gradient approximation

Simulation and theoretical analysis of the origin of the temperature of maximum density of water

Structural transitions and bilayer formation of CTAB aggregates

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