J. Kolafa

发表

Cutoff Errors in the Ewald Summation Formulae for Point Charge Systems

J. Perram, J. Kolafa, 1992 .

Global phase diagrams of model and real binary fluid mixtures: Lorentz–Berthelot mixture of attractive hard spheres

William R. Smith, J. Kolafa, I. Nezbeda, 1998 .

Effect of short- and long-range forces on the properties of fluids. III. Dipolar and quadrupolar fluids

M. Lísal, J. Kolafa, I. Nezbeda, 2001 .

Recent progress in the molecular simulation of thermodynamic properties of aqueous electrolyte solutions

William R. Smith, J. Kolafa, I. Nezbeda, 2018 .

Gear formalism of the always stable predictor-corrector method for molecular dynamics of polarizable molecules.

J. Kolafa, Jirí Kolafa, 2005, The Journal of chemical physics.

Static Dielectric Constant from Simulations Revisited: Fluctuations or External Field?

J. Kolafa, Linda Viererblová, 2014, Journal of chemical theory and computation.

Essential motions and energetic contributions of individual residues in a peptide bound to an SH3 domain.

J. Perram, R. Bywater, J. Kolafa, 2000, Biophysical journal.

Residual entropy of ice III from Monte Carlo simulation.

J. Kolafa, 2016, The Journal of chemical physics.

THERMAL UNFOLDING OF UNSOLVATED CYTOCHROME C : EXPERIMENT AND MOLECULAR DYNAMICS SIMULATIONS

M. Ratner, M. Jarrold, J. Kolafa, 1999 .

Virial coefficients of the additive hard-sphere binary mixtures up to the eighth

J. Kolafa, A. Malijevský, S. Labík, 2017 .

Effect of short- and long-range forces on the structure of water: temperature and density dependence

J. Kolafa, I. Nezbeda, 1999 .

A classical polarizable model for simulations of water and ice.

J. Kolafa, Linda Viererblová, 2011, Physical chemistry chemical physics : PCCP.

Nonanalytical equation of state of the hard sphere fluid.

J. Kolafa, 2005, Physical chemistry chemical physics : PCCP.

Molecular Dynamics of Heterogeneous Systems on GPUs and Their Application to Nucleation in Gas Expanding to a Vacuum.

J. Kolafa, David Celný, M. Klima, 2021, Journal of chemical theory and computation.

Solubility of NaCl in water and its melting point by molecular dynamics in the slab geometry and a new BK3-compatible force field.

J. Kolafa, 2016, The Journal of chemical physics.

A Polarizable Three-Site Water Model with Intramolecular Polarizability

J. Kolafa, 2008 .

Molecular simulations of aqueous electrolyte solubility: 1. The expanded-ensemble osmotic molecular dynamics method for the solution phase.

William R. Smith, M. Lísal, J. Kolafa, 2005, The journal of physical chemistry. B.

The hard tetrahedron fluid: a model for the structure of water?

J. Kolafa, I. Nezbeda, 1995 .

Primitive model of water: II. Theoretical results for the structure and thermodynamic properties

J. Kolafa, I. Nezbeda, Y. Kalyuzhnyi, 1989 .

Accurate Binding of Sodium and Calcium to a POPC Bilayer by Effective Inclusion of Electronic Polarization.

J. Kolafa, O. H. S. Ollila, P. Jungwirth, 2018, The journal of physical chemistry. B.

Surface Affinity of Alkali and Halide Ions in Their Aqueous Solution: Insight from Intrinsic Density Analysis.

J. Kolafa, P. Jedlovszky, M. Sega, 2020, The journal of physical chemistry. B.

Electron-induced fragmentation of water droplets: Simulation study.

J. Kolafa, P. Slavíček, Jiří Suchan, 2022, The Journal of chemical physics.

Monte Carlo simulations on primitive models of water and methanol

J. Kolafa, I. Nezbeda, 1987 .

Molecular theory of phase equilibria in model associated mixtures. I. Binary mixtures of water and a simple fluid

J. Kolafa, I. Nezbeda, W. Smith, 1994 .

Molecular theory of phase equilibria in model and real associated mixtures. II. Binary aqueous mixtures of inert gases and n‐alkanes

J. Kolafa, I. Nezbeda, J. Pavlíček, 1995 .

Simulation-based equation of state of the hard disk fluid and prediction of higher-order virial coefficients

J. Kolafa, M. Rottner, 2006, cond-mat/0608356.

Molecular theory of phase equilibria in model and real associated mixtures III. Binary solutions of inert gases and n-alkanes in ammonia and methanol

J. Kolafa, I. Nezbeda, W. Smith, 1997 .

The Lennard-Jones fluid: an accurate analytic and theoretically-based equation of state

Ivo Nezbeda, J. Kolafa, I. Nezbeda, 1994 .

Global phase diagrams of model and real binary fluid mixtures Part II. Non-Lorentz–Berthelot mixtures of attractive hard spheres

J. Kolafa, I. Nezbeda, J. Pavlíček, 1999 .

Computer simulation studies of hard body fluid mixtures II

J. Kolafa, I. Nezbeda, Horst L. Vörtler, 1989 .

Pressure in Molecular Simulations with Scaled Charges. 1. Ionic Systems.

J. Kolafa, 2020, The journal of physical chemistry. B.

Effect of short and long range forces on the structure of water. II. Orientational ordering and the dielectric constant

J. Kolafa, I. Nezbeda, 2000 .

The Use of Control Quantities in Computer Simulation Experiments: Application to the Exp-6 Potential Fluid

Ivo Nezbeda, Jiř Kolafa, J. Kolafa, 1995 .

Density expansion of the radial distribution and bridge functions of the hard sphere fluid

J. Kolafa, S. Labík, 2006 .

Novel Gear-like predictor–corrector integration methods for molecular dynamics

Jiří Janek, Jiří Kolafa, J. Kolafa, 2020, Molecular Physics.

Oligomers of Poly(Ethylene Oxide): Molecular Dynamics with a Polarizable Force Field

M. Ratner, J. Kolafa, 1998 .

A New Version of the Insertion Particle Method for Determining the Chemical Potential by Monte Carlo Simulation

Ivo Nezbeda, J. Kolafa, I. Nezbeda, 1991 .

Structure of Hard Spheres and Related Systems

J. Kolafa, A. Malijevský, 2008 .

Accurate equation of state of the hard sphere fluid in stable and metastable regions

J. Kolafa, A. Malijevský, S. Labík, 2004 .

Monte Carlo study of the three-state square Potts antiferromagnet

J. Kolafa, J Kolafa, 1984 .

Introduction to the Thermodynamics of Hard Spheres and Related Systems

J. Kolafa, A. Malijevský, 2008 .

Fluids of Hard Nonspherical Molecules. I. Higher Virial Coefficients

J. Kolafa, A. Malijevský, P. Morávek, 2008 .

Nonanalytical equation of state of the hard sphere fluid.

J. Kolafa, 2005, Physical chemistry chemical physics : PCCP.

FLUIDS OF HARD NONSPHERICAL MOLECULES. II. MONTE CARLO DATA AND EQUATION OF STATE

J. Kolafa, P. Morávek, Magda Francová, 2008 .

Excess volume of homonuclear diatomic mixtures

J. Kolafa, P. Morávek, S. Labík, 2006 .

Virial coefficients of hard spheres and hard disks up to the ninth.

J. Kolafa, A. Malijevský, S. Labík, 2005, Physical review. E, Statistical, nonlinear, and soft matter physics.

Virial coefficients and the equation of state of the hard tetrahedron fluid†

J. Kolafa, S. Labík, 2015 .

The bridge function of hard spheres by direct inversion of computer simulation data

J. Kolafa, A. Malijevský, S. Labík, 2002 .

Virial coefficients and equation of state of the penetrable sphere model.

J. Kolafa, A. Malijevský, Linda Viererblová, 2010, Physical chemistry chemical physics : PCCP.

Analytical expressions for the fourth virial coefficient of a hard-sphere mixture.

J. Kolafa, S. Labík, 2009, Physical review. E, Statistical, nonlinear, and soft matter physics.

Shear viscosity of ionic liquids from non-equilibrium molecular dynamics simulation

J. Kolafa, Jiří Kolafa, Jan Picálek, 2009 .

Implementation of the Dahl-Andersen-Wertheim theory for realistic water-water potentials

J. Kolafa, I. Nezbeda, 1989 .

The spherical harmonic expansion coefficients and multidimensional integrals in theories of liquids

J. Kolafa, I. Nezbeda, S. Labík, 1989 .

Global phase diagrams of binary mixtures Systematicbasis for describing types of phase equilibriumphenomena

J. Kolafa, I. Nezbeda, W. Smith, 1997 .

Azeotropic phenomena in the global phase diagram of the Redlich-Kwong equation of state

J. Kolafa, 1999 .

Global phase diagrams of the van der Waals–Dieterici and the BMCSL–Dieterici equations of state

J. Kolafa, J. Bumba, 2004 .

The Lennard-Jones Fluid Revisited: Computer Simulation Results

Karel Aim, Ivo Nezbeda, J. Kolafa, 1993 .

Transport Properties of Stochastically Reconstructed Porous Media with Improved Pore Connectivity

J. Kolafa, V. Hejtmánek, P. Čapek, 2011 .

Does the Sign of Charge Affect the Surface Affinity of Simple Ions?

J. Kolafa, P. Jedlovszky, M. Klima, 2023, The journal of physical chemistry. B.

Molten salt electrolytes. I. Experimental and theoretical studies of LiI/AlCl3

L. Curtiss, M. Ratner, J. Kolafa, 2001 .

Time-Reversible Velocity Predictors for Verlet Integration with Velocity-Dependent Right-Hand Side.

M. Lísal, J. Kolafa, 2011, Journal of chemical theory and computation.

Single-Particle Dynamics at the Intrinsic Surface of Aqueous Alkali Halide Solutions.

J. Kolafa, P. Jedlovszky, M. Sega, 2021, The journal of physical chemistry. B.

Chemical potentials of alkaline earth metal halide aqueous electrolytes and solubility of their hydrates by molecular simulation: Application to CaCl2, antarcticite, and sinjarite.

M. Lísal, J. Kolafa, F. Moučka, 2018, The Journal of chemical physics.

Global phase behavior of model mixtures of water and n-alkanols

A. Galindo, G. Jackson, J. Kolafa, 1999 .

Calculation of elementary diagrams using a Metropolis-like simulation method

J. Kolafa, A. Malijevský, S. Labík, 2003 .

On perturbation expansions for associated fluids

J. Kolafa, I. Nezbeda, 1990 .

On optimization of Monte Carlo simulations

J. Kolafa, 1988 .

Primitive models of associated liquids: Equation of state, liquid-gas phase transition, and percolation threshold

J. Kolafa, I. Nezbeda, 1991 .

Physicochemical properties of gold nanostructures deposited on glass

J. Kolafa, V. Svorcik, Z. Kolská, 2014 .

Residual entropy of ices and clathrates from Monte Carlo simulation.

J. Kolafa, 2014, The Journal of chemical physics.

Handling Electrostatic Interactions in Molecular Simulations: A Systematic Study

J. Kolafa, I. Nezbeda, F. Moučka, 2008 .

Direct Sampling of Local Density Fluctuations in Monte Carlo Simulations

J. Kolafa, 1991 .

On Volume-Explicit Equations of State: Hard-Body and Real Fluids

J. Kolafa, I. Nezbeda, K. Aim, 1989 .

An examination of the five-site potential (TIP5P) for water

M. Lísal, J. Kolafa, I. Nezbeda, 2002 .

Convergence Properties of Monte Carlo Simulations on Fluids

J. Kolafa, 1991 .

Phase diagram of the two-dimensional Ising antiferromagnet (computer-assisted proof)

R. L. Dobrushin, Senya Shlosman, R. Dobrushin, 1985 .

Finite size effects for liquids in cyclic boundary conditions

J. Kolafa, 1992 .

Autocorrelations and subseries averages in Monte Carlo Simulations

J. Kolafa, 1986 .

Free Energy of Classical Molecular Crystals by Thermodynamic Integration from a Harmonic Reference.

J. Kolafa, 2018, Journal of chemical theory and computation.

The Lennard-Jones fluid revisited: new thermodynamic data and new equation of state

J. Kolafa, I. Nezbeda, Horst L. Vörtler, 1993 .

Molecular dynamics simulations of aqueous solutions of ionic liquids

J. Kolafa, Karel Matas, 2010 .

Molecular dynamics study of conductivity of ionic liquids: The Kohlrausch law

J. Kolafa, J. Picalek, 2007 .

Topological and real charge of Bjerrum defects in ices Ih and Ic

J. Kolafa, 2020 .

Hydrogen-Bond Defect in the Structure of Ice Ih

J. Kolafa, M. Ončák, 2010 .