Publications

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Filters: Author is Harrison, Robert J.  [Clear All Filters]
2023
Valeev, E. F., R. J. Harrison, A. A. Holmes, C. C. Peterson, and D. A. Penchoff, “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.
2022
Penchoff, D. A., C. C. Peterson, E. M. Wrancher, G. Bosilca, R. J. Harrison, E. F. Valeev, and P. D. Benny, “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.
Schuchart, J., P. Nookala, M. Mahdi Javanmard, T. Herault, E. F. Valeev, G. Bosilca, and R. J. Harrison, “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.