Polytypism in the ground state structure of the Lennard-Jonesium

The effect of electrostatic boundaries in molecular simulations: symmetry matters

(2017) Cong Pan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The potential energy landscape for crystallisation of a Lennard-Jones fluid

(2016) Vanessa K de Souza et al.   JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT

How well does the Lennard-Jones potential represent the thermodynamic properties of noble gases?

(2016) Gábor Rutkai et al.   MOLECULAR PHYSICS

Coexistence of multiple metastable polytypes in rhombohedral bismuth

(2016) Yu Shu et al.   Scientific Reports

Extent of stacking disorder in diamond

(2015) Christoph G. Salzmann et al.   DIAMOND AND RELATED MATERIALS

Phase diagram of power law and Lennard-Jones systems: Crystal phases

(2014) Alex Travesset   JOURNAL OF CHEMICAL PHYSICS

Polytypism in ZnS, ZnSe, and ZnTe: First-principles study

(2014) F. Boutaiba et al.   PHYSICAL REVIEW B

Melting at High Pressure: Can First-Principles Computational Chemistry Challenge Diamond-Anvil Cell Experiments?

(2013) Jonas Wiebke et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Effect of potential truncations and shifts on the solid-liquid phase coexistence of Lennard-Jones fluids

(2010) Alauddin Ahmed et al.   JOURNAL OF CHEMICAL PHYSICS

Phonons and superconductivity in fcc and dhcp lanthanum

(2010) S. Bağcı et al.   PHYSICAL REVIEW B

First-principles studies of diamond polytypes

(2008) Bin Wen et al.   DIAMOND AND RELATED MATERIALS