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Lagnajit Pattanaik - Publications

Affiliations: 
2022 Department of Chemical Engineering Massachusetts Institute of Technology, Cambridge, MA, United States 
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7 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Pattanaik L, Menon A, Settels V, Spiekermann KA, Tan Z, Vermeire FH, Sandfort F, Eiden P, Green WH. ConfSolv: Prediction of Solute Conformer-Free Energies across a Range of Solvents. The Journal of Physical Chemistry. B. PMID 37966798 DOI: 10.1021/acs.jpcb.3c05904  0.656
2022 Spiekermann K, Pattanaik L, Green WH. High accuracy barrier heights, enthalpies, and rate coefficients for chemical reactions. Scientific Data. 9: 417. PMID 35851390 DOI: 10.1038/s41597-022-01529-6  0.668
2022 Spiekermann KA, Pattanaik L, Green WH. Fast Predictions of Reaction Barrier Heights: Toward Coupled-Cluster Accuracy. The Journal of Physical Chemistry. A. PMID 35727075 DOI: 10.1021/acs.jpca.2c02614  0.681
2020 Guan Y, Coley CW, Wu H, Ranasinghe D, Heid E, Struble TJ, Pattanaik L, Green WH, Jensen KF. Regio-selectivity prediction with a machine-learned reaction representation and on-the-fly quantum mechanical descriptors. Chemical Science. 12: 2198-2208. PMID 34163985 DOI: 10.1039/d0sc04823b  0.639
2020 Pattanaik L, Ingraham JB, Grambow CA, Green WH. Generating transition states of isomerization reactions with deep learning. Physical Chemistry Chemical Physics : Pccp. 22: 23618-23626. PMID 33112304 DOI: 10.1039/d0cp04670a  0.72
2020 Grambow CA, Pattanaik L, Green WH. Reactants, products, and transition states of elementary chemical reactions based on quantum chemistry. Scientific Data. 7: 137. PMID 32385318 DOI: 10.1038/S41597-020-0460-4  0.737
2020 Grambow CA, Pattanaik L, Green WH. Deep Learning of Activation Energies. The Journal of Physical Chemistry Letters. 2992-2997. PMID 32216310 DOI: 10.1021/Acs.Jpclett.0C00500  0.747
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