Mechanical instability of monocrystalline and polycrystalline methane hydrates

Simulation of pore width and pore charge effects on selectivities of CO2 vs. H2 from a Syngas-like Mixture in carbon mesopores

Thermal conductivity of carbon dioxide from non-equilibrium molecular dynamics : A systematic study of several common force fields

Selectivity and self-diffusion of CO2 and H2 in a mixture on a graphite surface

Simulating CO2 adsorption and diffusion on a graphite surface