Adsorption behaviors of shale oil in kerogen slit by molecular simulation

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 64.1K citations

Engineering, Visual Molecular Dynamics, Molecular Biology +5

Pore structure characterization of North American shale gas reservoirs using USANS/SANS, gas adsorption, and mercury intrusion

Christopher R. Clarkson, Nisael Solano, R.M. Bustin et al. · Fuel · 2012 · 1.7K citations

Petroleum Reservoir, Chemical Engineering, Pore Structure +7

Nanopores and Apparent Permeability of Gas Flow in Mudrocks (Shales and Siltstone)

Farzam Javadpour · Journal of Canadian Petroleum Technology · 2009 · 1.4K citations

Atomic Force Microscopy, Darcy Permeability, Engineering +18

Using collective variables to drive molecular dynamics simulations

Giacomo Fiorin, Michael L. Klein, Jérôme Hénin · Molecular Physics · 2013 · 1.1K citations · Full text

Engineering, Parallel Molecular Dynamics, Natural Sciences +15

The effect of long-range electrostatic interactions in simulations of macromolecular crystals: A comparison of the Ewald and truncated list methods

Darrin M. York, Tom Darden, Lee G. Pedersen · The Journal of Chemical Physics · 1993 · 759 citations

Engineering, Molecular Biology, Computational Chemistry +22