activity
20192021
most citedImplementing Reactivity in Molecular Dynamics Simulations with Harmonic Force Fields

7 citations · 7 across the 2 of their papers we have counts for

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physics.chem-ph2019

Atomistic scale analysis of the carbonization process for C/H/O/N-based polymers with the ReaxFF reactive force field

Malgorzata Kowalik, Chowdhury Ashraf, Behzad Damirchi +3

During the carbonization process of raw polymer precursors, graphitic structures can evolve. The presence of these graphitic structures affects mechanical properties of the carboni…