The Young–Laplace equation for a solid–liquid interface

Interfacial Free Energy and Tolman Length of Curved Liquid–Solid Interfaces from Equilibrium Studies

(2020) P. Montero de Hijes et al.   Journal of Physical Chemistry C

Bubbles in water under stretch-induced cavitation

(2019) Sa Hoon Min et al.   JOURNAL OF CHEMICAL PHYSICS

Comment on “Theoretical prediction of crystallization kinetics of a supercooled Lennard-Jones fluid” [J. Chem. Phys. 148, 204506 (2018)]

(2019) Azat O. Tipeev   JOURNAL OF CHEMICAL PHYSICS

Phase equilibria in a microheterogeneous liquid–gas system: Gibbs capillary model

(2019) V.G. Baidakov   CHEMICAL PHYSICS

Interfacial free energy of a liquid-solid interface: Its change with curvature

(2019) P. Montero de Hijes et al.   JOURNAL OF CHEMICAL PHYSICS

The effect of a finite number of monomers available for aggregation at nucleation and micellization in a fixed volume

(2019) A. K. Shchekin et al.   JOURNAL OF CHEMICAL PHYSICS

Theoretical prediction of crystallization kinetics of a supercooled Lennard-Jones fluid

(2018) K. G. S. H. Gunawardana et al.   JOURNAL OF CHEMICAL PHYSICS

Chemical potential calculations in non-homogeneous liquids

(2018) Claudio Perego et al.   JOURNAL OF CHEMICAL PHYSICS

Crystallization of hard spheres revisited. II. Thermodynamic modeling, nucleation work, and the surface of tension

(2018) David Richard et al.   JOURNAL OF CHEMICAL PHYSICS

The phase coexistence method to obtain surface free energies and nucleation barriers: a brief review

(2018) Peter Koß et al.   MOLECULAR PHYSICS

Equilibrium between a Droplet and Surrounding Vapor: A Discussion of Finite Size Effects

(2017) Andreas Tröster et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Surface thermodynamics of planar, cylindrical, and spherical vapour-liquid interfaces of water

(2015) Gabriel V. Lau et al.   JOURNAL OF CHEMICAL PHYSICS

The ensemble switch method and related approaches to obtain interfacial free energies between coexisting phases from simulations: a brief review

(2015) Peter Virnau et al.   MOLECULAR SIMULATION

Finite-Size Effects on Liquid-Solid Phase Coexistence and the Estimation of Crystal Nucleation Barriers

(2015) Antonia Statt et al.   PHYSICAL REVIEW LETTERS

Thermodynamic stability of nanosized multicomponent bubbles/droplets: The square gradient theory and the capillary approach

(2014) Øivind Wilhelmsen et al.   JOURNAL OF CHEMICAL PHYSICS

On fluid-solid direct coexistence simulations: The pseudo-hard sphere model

(2013) Jorge R. Espinosa et al.   JOURNAL OF CHEMICAL PHYSICS

Beyond the Van Der Waals loop: What can be learned from simulating Lennard-Jones fluids inside the region of phase coexistence

(2012) Kurt Binder et al.   AMERICAN JOURNAL OF PHYSICS

Pseudo hard-sphere potential for use in continuous molecular-dynamics simulation of spherical and chain molecules

(2012) J. Jover et al.   JOURNAL OF CHEMICAL PHYSICS

Numerical approaches to determine the interface tension of curved interfaces from free energy calculations

(2012) A. Tröster et al.   JOURNAL OF CHEMICAL PHYSICS

A perspective on the interfacial properties of nanoscopic liquid drops

(2012) Alexandr Malijevský et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Positive Tolman Length in a Lattice Gas with Three-Body Interactions

(2011) A. Tröster et al.   PHYSICAL REVIEW LETTERS

Communications: Evidence for the role of fluctuations in the thermodynamics of nanoscale drops and the implications in computations of the surface tension

(2010) José G. Sampayo et al.   JOURNAL OF CHEMICAL PHYSICS

Curvature dependence of surface free energy of liquid drops and bubbles: A simulation study

(2010) Benjamin J. Block et al.   JOURNAL OF CHEMICAL PHYSICS

Methods to extract interfacial free energies of flat and curved interfaces from computer simulations

(2009) M. Schrader et al.   European Physical Journal-Special Topics

Determination of the solid-liquid interfacial free energy along a coexistence line by Gibbs–Cahn integration

(2009) Brian B. Laird et al.   JOURNAL OF CHEMICAL PHYSICS

Simulation of vapor-liquid coexistence in finite volumes: A method to compute the surface free energy of droplets

(2009) Manuel Schrader et al.   PHYSICAL REVIEW E

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

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

(2008) C Vega et al.   JOURNAL OF PHYSICS-CONDENSED MATTER