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Vaibhav Bihani

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EGraFFBench: Evaluation of Equivariant Graph Neural Network Force Fields for Atomistic Simulations

Oct 03, 2023
Vaibhav Bihani, Utkarsh Pratiush, Sajid Mannan, Tao Du, Zhimin Chen, Santiago Miret, Matthieu Micoulaut, Morten M Smedskjaer, Sayan Ranu, N M Anoop Krishnan

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StriderNET: A Graph Reinforcement Learning Approach to Optimize Atomic Structures on Rough Energy Landscapes

Jan 29, 2023
Vaibhav Bihani, Sahil Manchanda, Srikanth Sastry, Sayan Ranu, N. M. Anoop Krishnan

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