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Connectivity-Based Parallel Replica Dynamics For Simulating Chemically Reactive Systems Connectivity-Based Parallel Replica Dynamics For Simulating Chemically Reactive Systems Using ReaxFFUsing ReaxFF
Kaushik Joshi1, Chenyu Zou2*, Adri van Duin1 and Sumathy Raman2
1Pennsylvania State University , *Summer intern at EMRE, 2ExxonMobil Research and Engineering, Corporate Strategic Research, Clinton, NJ
Future Work