Hans Christian Andersen

Molecular dynamics simulations at constant pressure and/or temperature

Role of Repulsive Forces in Determining the Equilibrium Structure of Simple Liquids

A computer simulation method for the calculation of equilibrium constants for the formation of physical clusters of molecules: Application to small water clusters

Molecular dynamics study of melting and freezing of small Lennard-Jones clusters

Rattle: A “velocity” version of the shake algorithm for molecular dynamics calculations

Optimized Cluster Expansions for Classical Fluids. II. Theory of Molecular Liquids

Testing mode-coupling theory for a supercooled binary Lennard-Jones mixture I: The van Hove correlation function

The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models

Scaling Behavior in the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>β</mml:mi></mml:math>-Relaxation Regime of a Supercooled Lennard-Jones Mixture

Kinetic Ising Model of the Glass Transition

Relationship between the Hard-Sphere Fluid and Fluids with Realistic Repulsive Forces

Testing mode-coupling theory for a supercooled binary Lennard-Jones mixture. II. Intermediate scattering function and dynamic susceptibility