Pyrolysis simulations of Fugu coal by large-scale ReaxFF molecular dynamics

Molecular dynamics with coupling to an external bath

Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 31K citations · Full text

Natural Sciences, Chemistry, Physics +17

ReaxFF:  A Reactive Force Field for Hydrocarbons

Adri C. T. van Duin, Siddharth Dasgupta, François Lorant et al. · The Journal of Physical Chemistry A · 2001 · 6.3K citations

Natural Sciences, Chemistry, Physics +17

Coal pyrolysis: Experiments, kinetic rates and mechanisms

P.R. Solomon, Michael A. Serio, Eric M. Suuberg · Progress in Energy and Combustion Science · 1992 · 505 citations

Engineering, Chemical Engineering, Mining Engineering +14

Progress in coal pyrolysis

P.R. Solomon, Thomas H. Fletcher, Ronald J. Pugmire · Fuel · 1993 · 354 citations

Engineering, Chemical Engineering, Mining Engineering +7

First-principles and classical molecular dynamics simulation of shocked polymers

Thomas R. Mattsson, J. Matthew D. Lane, Kyle Cochrane et al. · Physical Review B · 2010 · 330 citations

Natural Sciences, Materials Science, Physics +17