110 citations · 117 across the 4 of their papers we have counts for
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cond-mat.stat-mech2021★ 7 cited
Implementing Reactivity in Molecular Dynamics Simulations with Harmonic Force Fields
Jordan J. Winetrout, Krishan Kanhaiya, Joshua Kemppainen +7
The simulation of chemical reactions and mechanical properties including failure from atoms to the micrometer scale remains a longstanding challenge in chemistry and materials scie…
cond-mat.mtrl-sci2021★ 110 cited
Molecular Dynamics Modeling of Epoxy Resins using the Reactive Interface Force Field
G. M. Odegard, S. U. Patil, P. Deshpande +5
Predictive computational modeling of polymer materials is necessary for the efficient design of composite materials and the corresponding processing methods. Molecular dynamics (MD…