Connectivity-Based Parallel Replica Dynamics For ... · Connectivity-Based Parallel Replica...

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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 ReaxFF Using ReaxFF Kaushik Joshi 1 , Chenyu Zou 2* , Adri van Duin 1 and Sumathy Raman 2 1 Pennsylvania State University , *Summer intern at EMRE, 2 ExxonMobil Research and Engineering, Corporate Strategic Research, Clinton, NJ Future Work

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Page 1: Connectivity-Based Parallel Replica Dynamics For ... · Connectivity-Based Parallel Replica Dynamics For Simulating Chemically Reactive Systems Using ReaxFF Kaushik Joshi 1, Chenyu

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

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