Striking the right balance of encoding electron correlation in the Hamiltonian and the wavefunction ansatz
Szenes, Kalman, Mörchen, Maximilian, Fischill, Paul, Reiher, Markus
Published in Faraday discussions (02.08.2024)
Published in Faraday discussions (02.08.2024)
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Journal Article
Stochastic and low-scaling techniques: general discussion
Alavi, Ali, Allen, Marcus, Atalar, Kemal, Berkelbach, Timothy C, Booth, George H, Burton, Hugh G A, Chan, Garnet Kin-Lic, Craciunescu, Luca, Danilov, Don, Dobrautz, Werner, Evangelista, Francesco A, Filip, Maria-Andreea, Giner, Emmanuel, Greene-Diniz, Gabriel, Grüneis, Andreas, Guo, Yang, Harsha, Gaurav, Ibrahim, Basil, Kapil, Venkat, Kats, Daniel, Knowles, Peter J, Lepetit, Marie-Bernadette, Liao, Ke, Li Manni, Giovanni, Loos, Pierre-François, Magnusson, Erika, Marie, Antoine, Mejuto-Zaera, Carlos, Neese, Frank, Nejad, Arman, Neufeld, Verena A, Pernal, Katarzyna, Plasser, Felix, Prentice, Andrew W, Ravindran, Visagan, Rehman, Umatur, Reiher, Markus, Schilling, Christian, Scuseria, Gustavo, Shee, James, Shi, Benjamin X, Szenes, Kalman, Tew, David P, Thom, Alex J W, Wang, Zikuan, Zgid, Dominika, Zhu, Andrew, Zwijnenburg, Martijn A
Published in Faraday discussions (15.10.2024)
Published in Faraday discussions (15.10.2024)
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Journal Article
Striking the Right Balance of Encoding Electron Correlation in the Hamiltonian and the Wavefunction Ansatz
Szenes, Kalman, Moerchen, Maximilian, Fischill, Paul, Reiher, Markus
Published in arXiv.org (30.04.2024)
Published in arXiv.org (30.04.2024)
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Paper
Journal Article
Domain-specific implementation of high order Discontinuous Galerkin methods in spherical geometry
Szenes, Kalman, Discacciati, Niccolò, Bonaventura, Luca, Sawyer, William
Year of Publication 21.03.2023
Year of Publication 21.03.2023
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Journal Article
High-Performance and Programmable Attentional Graph Neural Networks with Global Tensor Formulations
Besta, Maciej, Renc, Pawel, Gerstenberger, Robert, Labini, Paolo Sylos, Ziogas, Alexandros, Chen, Tiancheng, Gianinazzi, Lukas, Scheidl, Florian, Szenes, Kalman, Carigiet, Armon, Iff, Patrick, Kwasniewski, Grzegorz, Kanakagiri, Raghavendra, Ge, Chio, Jaeger, Sammy, Was, Jaroslaw, Vella, Flavio, Hoefler, Torsten
Published in SC23: International Conference for High Performance Computing, Networking, Storage and Analysis (11.11.2023)
Published in SC23: International Conference for High Performance Computing, Networking, Storage and Analysis (11.11.2023)
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Conference Proceeding