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The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|August 14, 2024
Toward an ab Initio Description of Adsorbate Surface DynamicsSaurabh Sivakumar, Ambarish KulkarniJournal of Chemical Information and Modeling|October 12, 2023
Cluster-MLP: An Active Learning Genetic Algorithm Framework for Accelerated Discovery of Global Minimum Configurations of Pure and Alloyed NanoclustersRajesh K Raju, Saurabh Sivakumar, Xiaoxiao Wang, et al.The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|April 30, 2025
Automated Pynta-Based Curriculum for ML-Accelerated Calculation of Transition StatesTrevor Price, Saurabh Sivakumar, Matthew S Johnson, et al.Pageof 1