Publications
Generalized Flow-Graph Programming Using Template Task-Graphs: Initial Implementation and Assessment,”
2022 IEEE International Parallel and Distributed Processing Symposium (IPDPS), Lyon, France, IEEE, July 2022.
“Direct Determination of Optimal Real-Space Orbitals for Correlated Electronic Structure of Molecules,”
Journal of Chemical Theory and Computation, vol. 19, issue 20, pp. 7230 - 7241, October 2023.
“Evaluations of molecular modeling and machine learning for predictive capabilities in binding of lanthanum and actinium with carboxylic acids,”
Journal of Radioanalytical and Nuclear Chemistry, December 2022.
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