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Overview Leadership Blog JoVE Help Center

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Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

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JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

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Akksay Singh

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Journal of Chemical Theory and Computation|November 12, 2024

Uncertainty Based Machine Learning-DFT Hybrid Framework for Accelerating Geometry OptimizationAkksay Singh, Jiaqi Wang, Graeme Henkelman, et al.

The Journal of Chemical Physics|February 21, 2024

Local-environment-guided selection of atomic structures for the development of machine-learning potentialsRenzhe Li, Chuan Zhou, Akksay Singh, et al.

Journal of Chemical Theory and Computation|November 19, 2024

Automatic Feature Selection for Atom-Centered Neural Network Potentials Using a Gradient Boosting Decision AlgorithmRenzhe Li, Jiaqi Wang, Akksay Singh, et al.

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Search research articles

Showing results (1-10 of 3) with videos related to

Sort By:

Pageof 1

Journal of Chemical Theory and Computation|November 12, 2024

Uncertainty Based Machine Learning-DFT Hybrid Framework for Accelerating Geometry OptimizationAkksay Singh, Jiaqi Wang, Graeme Henkelman, et al.

The Journal of Chemical Physics|February 21, 2024

Local-environment-guided selection of atomic structures for the development of machine-learning potentialsRenzhe Li, Chuan Zhou, Akksay Singh, et al.

Journal of Chemical Theory and Computation|November 19, 2024

Automatic Feature Selection for Atom-Centered Neural Network Potentials Using a Gradient Boosting Decision AlgorithmRenzhe Li, Jiaqi Wang, Akksay Singh, et al.

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