Search Results - "Szenes, Kalman"

Domain-specific implementation of high-order Discontinuous Galerkin methods in spherical geometry by Szenes, Kalman, Discacciati, Niccolò, Bonaventura, Luca, Sawyer, William

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Striking the Right Balance of Encoding Electron Correlation in the Hamiltonian and the Wavefunction Ansatz by Szenes, Kalman, Moerchen, Maximilian, Fischill, Paul, Reiher, Markus

“…Faraday Discussions,(2024) Multi-configurational electronic structure theory delivers the most versatile approximations to many-electron wavefunctions,…”
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Domain-specific implementation of high order Discontinuous Galerkin methods in spherical geometry by Szenes, Kalman, Discacciati, Niccolò, Bonaventura, Luca, Sawyer, William

“…We assess two domain-specific languages included in the GridTools ecosystem as tools for implementing a high-order Discontinuous Galerkin discretization of the…”
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High-Performance and Programmable Attentional Graph Neural Networks with Global Tensor Formulations by 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

“…Graph attention models (A-GNNs), a type of Graph Neural Networks (GNNs), have been shown to be more powerful than simpler convolutional GNNs (C-GNNs). However,…”
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