Atomistic simulations of calcite nanoparticles and their interaction with water

Dynamically tessellating algorithm for analysis of pore size distribution in particle agglomerates

Influence of Particle Size Dispersity in Dense Packings on the Void Structure and the Interparticle Contact State

Modelling of morphology and proton transport in PFSA membranes

Molecular dynamics simulations of the elastic properties of polymer/carbon nanotube composites

New forcefields for modeling biomineralization processes

Numerical Simulation on Pharmaceutical Powder Compaction

Selective hydration of the ‘short-side-chain’perfluorosulfonic acid membrane. An ONIOM study

The Behavior of Ultrafine Particles in the Absence and Presence of External Fields

A molecular dynamics study of the carbon–catalyst interaction energy for multi-scale modelling of single wall carbon nanotube growth