Papers matching “computational performance optimization” 55
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Performance of TDDFT Vertical Excitation Energies of Core‐Substituted Naphthalene Diimides2020 Journal of Computational Chemistry article Physics and Astronomy Advanced Chemical Physics Studies Open access
Ayush Kumar Narsaria, Trevor A. Hamlin, Andreas W. Ehlers, Célia Fonseca Guerra, Koop Lammertsma, F. Matthias Bickelhaupt
34citations -
Parallel implementation and performance of super-resolution generative adversarial network turbulence models for large-eddy simulation2024 Computers & Fluids article Physics and Astronomy Model Reduction and Neural Networks Open access
Ludovico Nista, Christoph Schumann, P. Petkov, Temistocle Grenga, Jonathan F. MacArt, Antonio Attili, +2 more
11citations -
Partition pooling for convolutional graph network applications in particle physics2022 Journal of Instrumentation article Physics and Astronomy Particle Detector Development and Performance Open access
Markus Bachlechner, Thilo Birkenfeld, Philipp Soldin, A. Stahl, Christopher H. Wiebusch
4citations -
Geometrical benchmarking and analysis of redox potentials of copper(I/ II ) guanidine‐quinoline complexes: Comparison of semi‐empirical tight‐binding and DFT methods and the challenge of describing the entatic state (part III )2022 Journal of Computational Chemistry article Physics and Astronomy Advanced Chemical Physics Studies Open access
Lukas Raßpe-Lange, Alexander Hoffmann, Christoph Gertig, Joshua Heck, Kai O. Leonhard, Sonja Herres‐Pawlis
13citations -
Physics-based machine learning for modeling thermo-hydraulic processes in a coaxial deep borehole heat exchanger, considering an explicit reservoir-wellbore representation: A case study of Cornwall, UK
Dimitra Teza, Ryan Santoso, Nora Koltzer, Denise Degen, Tony Bennett, Florian Wellmann
0citations -
SBH17: Benchmark Database of Barrier Heights for Dissociative Chemisorption on Transition Metal Surfaces2022 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access
Théophile Tchakoua, Nick Gerrits, Egidius W. F. Smeets, Geert–Jan Kroes
39citations -
Closed-loop control of a GaAs-based singlet-triplet spin qubit with 99.5% gate fidelity and low leakage2020 Nature Communications article Physics and Astronomy Quantum and electron transport phenomena Open access cited by 2 patents
Pascal Cerfontaine, Tim Botzem, Julian Ritzmann, Simon Humpohl, Arne Ludwig, Dieter Schuh, +3 more
77citations -
High throughput software-based gradient tree boosting positioning for PET systems2021 Biomedical Physics & Engineering Express article Physics and Astronomy Radiation Detection and Scintillator Technologies Open access
Christian Wassermann, Florian Mueller, Thomas Dey, Janko Lambertus, David Schug, Volkmar Schulz, +1 more
8citations -
Revolutionizing the CMS High-Level Trigger system at the HL-LHC with Next-Generation Triggers2026 CERN Document Server (European Organization for Nuclear Research) article Physics and Astronomy Particle Detector Development and Performance Open access
Elena Vernazza, M. Rovere, M. Musich, Bruno Afonso Fontana Santos Alves, Luca Ferragina, Jan Schulz
0citations -
Advancing density functional tight-binding method for large organic molecules through equivariant neural networks2026 Physical Chemistry Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access
Leonardo Rafael Medrano Sandonas, Mirela Puleva, Zekiye Erarslan, Ricardo Parra Payano, Martin Stöhr, Gianaurelio Cuniberti, +1 more
9citations