Fidel Castro-Marcano

Combustion of an Illinois No. 6 coal char simulated using an atomistic char representation and the ReaxFF reactive force field

Fidel Castro-Marcano, Amar M. Kamat, Michael F Russo et al. · Combustion and Flame · 2011 · 413 citations

Coal Char, Engineering, Atomistic Char Representation +6

Pyrolysis of a large-scale molecular model for Illinois no. 6 coal using the ReaxFF reactive force field

Fidel Castro-Marcano, Michael F Russo, Adri C. T. van Duin et al. · Journal of Analytical and Applied Pyrolysis · 2014 · 168 citations

Chemical Engineering, Engineering, Large-scale Molecular Model +6

A molecular model for Illinois No. 6 Argonne Premium coal: Moving toward capturing the continuum structure

Fidel Castro-Marcano, Vladislav V. Lobodin, Ryan P. Rodgers et al. · Fuel · 2011 · 129 citations

Natural Sciences, Argonne Premium Coal, Molecular Biology +7

Comparison of thermal and catalytic cracking of 1-heptene from ReaxFF reactive molecular dynamics simulations

Fidel Castro-Marcano, Adri C. T. van Duin · Combustion and Flame · 2013 · 128 citations

Materials Science, Chemical Kinetics, Chemical Thermodynamics +10

Fine Structure Evaluation of the Pair Distribution Function with Molecular Models of the Argonne Premium Coals

Fidel Castro-Marcano, Randall E. Winans, Peter J. Chupas et al. · Energy & Fuels · 2012 · 44 citations

X-ray Crystallography, Engineering, Computational Chemistry +16