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Saurabh Sivakumar
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Enabling robust offline active learning for machine learning potentials using simple physics-based priors
M Shuaibi, S Sivakumar, RQ Chen, ZW Ulissi
Machine Learning: Science and Technology 2 (2), 025007, 2020
382020
Cluster-MLP: An Active Learning Genetic Algorithm Framework for Accelerated Discovery of Global Minimum Configurations of Pure and Alloyed Nanoclusters
RK Raju, S Sivakumar, X Wang, ZW Ulissi
Journal of Chemical Information and Modeling 63 (20), 6192-6197, 2023
32023
Toward an ab Initio Description of Adsorbate Surface Dynamics
S Sivakumar, A Kulkarni
The Journal of Physical Chemistry C 128 (31), 13238-13248, 2024
12024
An Active Learning Framework for Accelerating Saddle Point Searches Applied to Propylene Epoxidation
S Sivakumar, Z Ulissi, M Shuaibi, M Adams
2020 Virtual AIChE Annual Meeting, 2020
2020
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Artiklar 1–4