Publications

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Filters: Author is Valeev, Edward F.  [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
Herault, T., J. Schuchart, E. F. Valeev, and G. Bosilca, “Composition of Algorithmic Building Blocks in Template Task Graphs,” 2022 IEEE/ACM Parallel Applications Workshop: Alternatives To MPI+X (PAW-ATM), Dallas, TX, USA, IEEE, January 2023, 2022.  (1015.99 KB)
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.
Schuchart, J., P. Nookala, T. Herault, E. F. Valeev, and G. Bosilca, “Pushing the Boundaries of Small Tasks: Scalable Low-Overhead Data-Flow Programming in TTG,” 2022 IEEE International Conference on Cluster Computing (CLUSTER), Heidelberg, Germany, IEEE, September 2022.