Oxidation mechanism of methane fuel blended with dimethyl ether/hydrogen/ammonia via ReaxFF molecular dynamics simulation

Fast Parallel Algorithms for Short-Range Molecular Dynamics

Steven J. Plimpton · Journal of Computational Physics · 1995 · 44.6K citations

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Canonical dynamics: Equilibrium phase-space distributions

William G. Hoover · Physical review. A, General physics · 1985 · 23.3K citations

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A unified formulation of the constant temperature molecular dynamics methods

Shūichi Nosé · The Journal of Chemical Physics · 1984 · 18.9K citations · Full text

Natural Sciences, Chemistry, Physics +15

ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

Kimberly Chenoweth, Adri C. T. van Duin, William A. Goddard · The Journal of Physical Chemistry A · 2008 · 2.6K citations

Natural Sciences, Chemistry, Physics +17

Simplified Reaction Mechanisms for the Oxidation of Hydrocarbon Fuels in Flames

Charles K. Westbrook, Frederick L. Dryer · Combustion Science and Technology · 1981 · 2.2K citations

Engineering, Chemical Engineering, Chemistry +17