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Papers matching “computational performance optimization” 5

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On the Performance of DFT/MRCI for Singlet–Triplet Gaps and Emission Energies of Thermally Activated Delayed Fluorescence Molecules
2025 ChemRxiv preprint Physics and Astronomy Advanced Chemical Physics Studies Open access

Mike Pauls, Thomas Froitzheim, Alexei Torgashov, Jan‐Michael Mewes, Stefan Grimme, Christoph Bannwarth

1

citations
Standardized Non-Intrusive Reduced Order Modeling Using Different Regression Models With Application to Complex Flow Problems
2020 arXiv (Cornell University) preprint Physics and Astronomy Model Reduction and Neural Networks Open access

Arturs Bērziņš, Jan Helmig, Fabian Key, Stefanie Elgeti

15

citations
ReLaTS: a Reinforcement Learning-based method for dynamically determining the coupling Time Step in multi-scale simulations of self-gravitating systems
2026 arXiv (Cornell University) preprint Physics and Astronomy Stellar, planetary, and galactic studies Open access

Veronica Saz Ulibarrena, Simon Portegies Zwart

0

citations
ReLaTS: a Reinforcement Learning-based method for dynamically determining the coupling Time Step in multi-scale simulations of self-gravitating systems
2026 arXiv (Cornell University) preprint Physics and Astronomy Stellar, planetary, and galactic studies Open access

Veronica Saz Ulibarrena, Simon Portegies Zwart

0

citations
Combining low-cost electronic structure theory and low-cost parallel computing architecture
2023 ChemRxiv preprint Physics and Astronomy Advanced Chemical Physics Studies Open access

Pit Steinbach, Christoph Bannwarth

0

citations

5 results