NN-Dx: Chemically adaptive dispersion physics for density-functional theory
Giuseppe M. J. Barca, Yufan Xia, Adrian R. Pearce
0 citationsResearch Square
Giuseppe M. J. Barca
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62Publications signalées
2721Citations signalées
3Affiliations récentes
Institutions déclarées
Domaines associés
Advanced Chemical Physics StudiesMachine Learning in Materials ScienceParallel Computing and Optimization TechniquesAdvanced NMR Techniques and ApplicationsQuantum Computing Algorithms and Architecture
Publications récentes
Accelerating Electrostatically-Embedded Fragmentation Methods using Graphics Processing Units
Fazeleh Kazemian, Jorge L. Gálvez Vallejo, Giuseppe M. J. Barca
0 citations
NN-Dx: Chemically adaptive dispersion physics for density-functional theory
Yufan Xia, Adrian R. Pearce, Giuseppe M. J. Barca
0 citationsChemRxiv
High-Performance, High-Angular-Momentum K Engine on Graphics Processing Units
Elise Palethorpe, Ryan Stocks, Giuseppe M. J. Barca
0 citationsChemRxiv
A Machine Learning Approach Towards Runtime Optimisation of Matrix Multiplication
Yufan Xia, Marco De La Pierre, Amanda S. Barnard, Giuseppe M. J. Barca
0 citationsANU Open Research (Australian National University)
Machine-Learning Adaptivity, DFT-Level Accuracy, and Semi-Empirical Quantum-Chemistry Speed with Neural-Network Extended Tight-Binding
Yufan Xia, Albert Thie, Joshua Soon, Giuseppe M. J. Barca
1 citationChemRxiv
Machine-Learning Adaptivity, DFT-Level Accuracy, and Semi-Empirical Quantum-Chemistry Speed with Neural-Network Extended Tight-Binding
Yufan Xia, Joshua Soon, Albert Thie, Giuseppe M. J. Barca
0 citationsChemRxiv
Machine-Learning Adaptivity, DFT-Level Accuracy, and Semi-Empirical Quantum-Chemistry Speed with Neural-Network Extended Tight-Binding
Yufan Xia, Giuseppe M. J. Barca
0 citationsChemRxiv
High-Performance, Quantum and AI-Driven Chemical Discovery
0 citationsZenodo (CERN European Organization for Nuclear Research)
High-Performance, Quantum and AI-Driven Chemical Discovery
0 citationsZenodo (CERN European Organization for Nuclear Research)
Efficient Algorithms for GPU Accelerated Evaluation of the DFT Exchange-Correlation Functional
Ryan Stocks, Giuseppe M. J. Barca
2 citationsJournal of Chemical Theory and Computation
High-Performance, High-Angular-Momentum J Engine on Graphics Processing Units
Elise Palethorpe, Giuseppe M. J. Barca
2 citationsJournal of Chemical Theory and Computation
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