Gupta, Prachi

1. Scalable learning of potentials to predict time-dependent Hartree-Fock dynamics
   2024/08/08 by Harish S. Bhat, Bhat, Harish S., Prachi Gupta +3 · 2 citations
   Physics and Astronomy · #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #Data Analysis #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (stat.ML) #Spectroscopy and Quantum Chemical Studies #Statistics and Probability (physics.data-an)
2. Elucidating the role of hydrogen bonding in the optical spectroscopy of the solvated green fluorescent protein chromophore: using machine learning to establish the importance of high-level electronic structure
   2023/05/26 by Michael S. Chen, Yuezhi Mao, Chen, Michael S. +13 · 1 citation
   Biochemistry, Genetics and Molecular Biology · Neuroscience · Physics and Astronomy · #Advanced Fluorescence Microscopy Techniques #Chemical Physics (physics.chem-ph) #Disordered Systems and Neural Networks (cond-mat.dis-nn) #FOS: Physical sciences #Photoreceptor and optogenetics research #Spectroscopy and Quantum Chemical Studies
3. Two-dimensional electronic spectroscopy in the condensed phase using equivariant transformer accelerated molecular dynamics simulations
   2025/03/28 by Kelly, Joseph, Hu, Frank, Damiani, Arianna +10 · 2 citations
   #Chemical Physics (physics.chem-ph) #FOS: Physical sciences