Kevin Spiekermann
6PUBLICATIONS
20CO-AUTHORS
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Publications (6)
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|Sep 19, 2024
Accurately Predicting Barrier Heights for Radical Reactions in Solution Using Deep Graph Networks.Kevin A Spiekermann, Xiaorui Dong, Angiras Menon
|Aug 06, 2024
When Do Quantum Mechanical Descriptors Help Graph Neural Networks to Predict Chemical Properties?Shih-Cheng Li, Haoyang Wu, Angiras Menon
|Nov 15, 2023
ConfSolv: Prediction of Solute Conformer-Free Energies across a Range of Solvents.Lagnajit Pattanaik, Angiras Menon, Volker Settels
|Oct 12, 2022
RMG Database for Chemical Property Prediction.Matthew S Johnson, Xiaorui Dong, Alon Grinberg Dana
|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
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Frequent Collaborators
6 joint publications
William H Green
3 joint publications
Lagnajit Pattanaik
2 joint publications
Xiaorui Dong
1 joint publications
Matthew S Johnson
1 joint publications
Alon Grinberg Dana
1 joint publications
Yunsie Chung
1 joint publications
David Farina
1 joint publications
Ryan J Gillis
1 joint publications
Mengjie Liu
1 joint publications
Katrin Blondal
