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Works (8)

Self-consistent electron density with shell structure using neural network-based Pauli potential

The Journal of Chemical Physics
2025-01-21 | Journal article
DOI: 10.1063/5.0239416
Contributors: Aparna Gangwar; Satya S. Bulusu; Amit Kumar Das; Arup Banerjee
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Machine learning approaches for modelling of molecular polarizability in gold nanoclusters

Artificial Intelligence Chemistry
2024-12 | Journal article
DOI: 10.1016/j.aichem.2024.100080
Contributors: Abhishek Ojha; Satya S. Bulusu; Arup Banerjee
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ANN and DFT investigation of 55-atom icosahedral Ag-Pt nanoalloys: Understanding structure, dynamics, and O2 activation

Computational and Theoretical Chemistry
2024-08 | Journal article
DOI: 10.1016/j.comptc.2024.114691
Contributors: Abhishek Ojha; Megha; Satya S. Bulusu; Arup Banerjee
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Neural network learned Pauli potential for the advancement of orbital-free density functional theory

The Journal of Chemical Physics
2023-09-28 | Journal article
DOI: 10.1063/5.0165524
Contributors: Aparna Gangwar; Satya S. Bulusu; Arup Banerjee
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Structure and dynamics of 38-atom Ag-Pt nanoalloys using ANN based-interatomic potential

Computational and Theoretical Chemistry
2023-02 | Journal article
DOI: 10.1016/j.comptc.2022.113985
Contributors: Abhishek Ojha; Megha; Satya S. Bulusu; Arup Banerjee
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FPGA Accelerator for Machine Learning Interatomic Potential-Based Molecular Dynamics of Gold Nanoparticles

IEEE Access
2022 | Journal article
DOI: 10.1109/ACCESS.2022.3165650
Contributors: Satya S. Bulusu; Srivathsan Vasudevan
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A transferable artificial neural network model for atomic forces in nanoparticles

The Journal of Chemical Physics
2018-11-21 | Journal article
DOI: 10.1063/1.5043247
Contributors: Shweta Jindal; Satya S. Bulusu
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Correlation of structure with UV-visible spectra by varying SH composition in Au-SH nanoclusters

The Journal of Chemical Physics
2018-08-21 | Journal article
DOI: 10.1063/1.5031478
Contributors: Siva Chiriki; Shweta Jindal; Priya Singh; Satya S. Bulusu
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