P. Mark Rodger

DL_POLY: Application to molecular simulation

William R. Smith, Chin W. Yong, P. Mark Rodger · Molecular Simulation · 2002 · 615 citations

Engineering, Molecular Biology, Computational Chemistry +18

Molecular Dynamics Study of Gas Hydrate Formation

C. Moon, Paul C. Taylor, P. Mark Rodger · Journal of the American Chemical Society · 2003 · 275 citations

Engineering, Physics, Natural Sciences +13

GolP-CHARMM: First-Principles Based Force Fields for the Interaction of Proteins with Au(111) and Au(100)

Louise B. Wright, P. Mark Rodger, Stefano Corni et al. · Journal of Chemical Theory and Computation · 2013 · 267 citations

Protein Assembly, Metal Nanoparticles, Molecular Biology +17

Simulations of the methane hydrate/methane gas interface near hydrate forming conditions conditions

P. Mark Rodger, Timothy R. Forester, William R. Smith · Fluid Phase Equilibria · 1996 · 261 citations

Engineering, Natural Gas Hydrate System, Interfacial Phenomena +5

Derivation of an Accurate Force-Field for Simulating the Growth of Calcium Carbonate from Aqueous Solution: A New Model for the Calcite−Water Interface

Paolo Raiteri, Julian D. Gale, David Quigley et al. · The Journal of Physical Chemistry C · 2010 · 259 citations

Engineering, Calcite-aragonite Phase Transition, Carbonate Diffusion +18