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Pratyush Tiwary

Graph Neural Network-State Predictive Information Bottleneck (GNN-SPIB) approach for learning molecular thermodynamics and kinetics

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Sep 18, 2024
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Generative artificial intelligence for computational chemistry: a roadmap to predicting emergent phenomena

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Sep 04, 2024
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Enhanced sampling of Crystal Nucleation with Graph Representation Learnt Variables

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Oct 11, 2023
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Enhanced Sampling with Machine Learning: A Review

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Jun 16, 2023
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Introducing dynamical constraints into representation learning

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Sep 02, 2022
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Thermodynamics of Interpretation

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Jun 27, 2022
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Path sampling of recurrent neural networks by incorporating known physics

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Mar 01, 2022
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