Research
Research activities in my group are mainly focused on three areas: (1) computational and theoretical studies of liquids and confined fluids, water (ice) in particular, and related topics such as interfaces, hydrophobicity, wetting, melting, surface tensions, nucleation, and solvation. (2) Structural evolution of clusters (in particular Au, Si, B and water), and nanocatalysis. (3) Computer-aided design and study of nanostructured materials (nanotubes, nanofilms, nanoribbons and nanoparticles).
Research tools include Monte Carlo and molecular dynamics computer simulation, density-functional theory and ab initio quantum mechanical calculations. We use Linux (CentOS) Beowulf clusters of AMD Phenom II X4, X6, and Opteron (4-cores and 8-cores), as well as Intel Core 2 Quad, i7 and Xeon workstations.
More detailed research activities can be found in: