Sergey V. Zybin

ReaxFF-<i>l</i>g: Correction of the ReaxFF Reactive Force Field for London Dispersion, with Applications to the Equations of State for Energetic Materials

Lianchi Liu, Yi Liu, Sergey V. Zybin et al. · The Journal of Physical Chemistry A · 2011 · 533 citations

Engineering, Computational Chemistry, Chemistry +16

Carbon Cluster Formation during Thermal Decomposition of Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine and 1,3,5-Triamino-2,4,6-trinitrobenzene High Explosives from ReaxFF Reactive Molecular Dynamics Simulations

Luzheng Zhang, Sergey V. Zybin, Adri C. T. van Duin et al. · The Journal of Physical Chemistry A · 2009 · 319 citations

Decomposition of Condensed Phase Energetic Materials: Interplay between Uni- and Bimolecular Mechanisms

David Furman, Ronnie Kosloff, Faina Dubnikova et al. · Journal of the American Chemical Society · 2014 · 159 citations

Density-Dependent Liquid Nitromethane Decomposition: Molecular Dynamics Simulations Based on ReaxFF

Naomi Rom, Sergey V. Zybin, Adri C. T. van Duin et al. · The Journal of Physical Chemistry A · 2011 · 147 citations

Thermal Decomposition of Hydrazines from Reactive Dynamics Using the ReaxFF Reactive Force Field

Luzheng Zhang, Adri C. T. van Duin, Sergey V. Zybin et al. · The Journal of Physical Chemistry B · 2009 · 142 citations

Engineering, Bulk Hydrazine, Computational Chemistry +19