Lagnajit Pattanaik
7PUBLICATIONS
8CO-AUTHORS
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Publications (7)
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|Nov 15, 2023
ConfSolv: Prediction of Solute Conformer-Free Energies across a Range of Solvents.Lagnajit Pattanaik, Angiras Menon, Volker Settels
|Jul 19, 2022
High accuracy barrier heights, enthalpies, and rate coefficients for chemical reactions.Kevin Spiekermann, Lagnajit Pattanaik, William H Green
|Jun 21, 2022
Fast Predictions of Reaction Barrier Heights: Toward Coupled-Cluster Accuracy.Kevin A Spiekermann, Lagnajit Pattanaik, William H Green
|Jun 24, 2021
Regio-selectivity prediction with a machine-learned reaction representation and on-the-fly quantum mechanical descriptors.Yanfei Guan, Connor W Coley, Haoyang Wu
|Oct 28, 2020
Generating transition states of isomerization reactions with deep learning.Lagnajit Pattanaik, John B Ingraham, Colin A Grambow
|May 10, 2020
Reactants, products, and transition states of elementary chemical reactions based on quantum chemistry.Colin A Grambow, Lagnajit Pattanaik, William H Green
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