Natural language processing-guided meta-analysis and structure factor database extraction from glass literature von Zaki, Mohd, Namireddy, Sahith Reddy, Pittie, Tanu, Bihani, Vaibhav, Keshri, Shweta Rani, Venugopal, Vineeth, Gosvami, Nitya Nand, Jayadeva, Krishnan, N.M. Anoop

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Reactive molecular simulation of shockwave propagation in calcium–silicate–hydrate gels von Bihani, Vaibhav, Yadav, Ashish, Krishnan, N. M. Anoop

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Navigating energy landscapes for materials discovery: Integrating modeling, simulation, and machine learning von Mannan, Sajid, Bihani, Vaibhav, Krishnan, N. M. Anoop, Mauro, John C.

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EGraFFBench: evaluation of equivariant graph neural network force fields for atomistic simulations von Bihani, Vaibhav, Mannan, Sajid, Pratiush, Utkarsh, Du, Tao, Chen, Zhimin, Miret, Santiago, Micoulaut, Matthieu, Smedskjaer, Morten M, Ranu, Sayan, Krishnan, N. M. Anoop

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Unsupervised Graph Neural Network Reveals the Structure--Dynamics Correlation in Disordered Systems von Bihani, Vaibhav, Manchanda, Sahil, Ranu, Sayan, Krishnan, N. M. Anoop

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StriderNET: A Graph Reinforcement Learning Approach to Optimize Atomic Structures on Rough Energy Landscapes von Bihani, Vaibhav, Manchanda, Sahil, Sastry, Srikanth, Ranu, Sayan, Krishnan, N. M. Anoop

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EGraFFBench: Evaluation of Equivariant Graph Neural Network Force Fields for Atomistic Simulations von Bihani, Vaibhav, Pratiush, Utkarsh, Mannan, Sajid, Du, Tao, Chen, Zhimin, Miret, Santiago, Micoulaut, Matthieu, Smedskjaer, Morten M, Ranu, Sayan, Krishnan, N M Anoop

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Unsupervised Graph Neural Network Reveals the Structure--Dynamics Correlation in Disordered Systems von Bihani, Vaibhav, Manchanda, Sahil, Sayan Ranu, Krishnan, N M Anoop

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StriderNET: A Graph Reinforcement Learning Approach to Optimize Atomic Structures on Rough Energy Landscapes von Bihani, Vaibhav, Manchanda, Sahil, Sastry, Srikanth, Sayan Ranu, Krishnan, N M Anoop

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EGraFFBench: Evaluation of Equivariant Graph Neural Network Force Fields for Atomistic Simulations von Bihani, Vaibhav, Pratiush, Utkarsh, Mannan, Sajid, Du, Tao, Chen, Zhimin, Miret, Santiago, Micoulaut, Matthieu, Smedskjaer, Morten M, Sayan Ranu, Krishnan, N M Anoop

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Structure factor repository von Zaki, Mohd, Sahith Namireddy, Tanu Pittie, Vaibhav Bihani, Keshri, Shweta Rani, Vineeth Venugopal, Nitya Nand Gosvami, Jayadeva, Krishnan, N. M. Anoop

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