Patrick Rinke
- DScribe: Library of descriptors for machine learning in materials science
2019/09/26 by Lauri Himanen, Marc O. J. Jäger, Marc O.J. Jäger +7 · 64 citations
Materials Science · Computer Science · #Machine Learning in Materials Science #Computational Drug Discovery Methods #X-ray Diffraction in Crystallography
- Benchmark of \boldsymbolGW Methods for Core-Level Binding Energies
2022/06/11 by Jiachen Li, Li, Jiachen, Ye Jin +7 · 10 citations
Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #Electron and X-Ray Spectroscopy Techniques #FOS: Physical sciences #Machine Learning in Materials Science
- Roadmap on Advancements of the FHI-aims Software Package
2025/04/30 by Joseph W. Abbott, Carlos Mera Acosta, Abbott, Joseph W. +405 · 3 voices · 7 citations
#cond-mat.mtrl-sci #physics.chem-ph
- Renormalized Second-order Perturbation Theory for The Electron Correlation Energy: Concept, Implementation, and Benchmarks
2012/12/15 by Xinguo Ren, Patrick Rinke, Ren, Xinguo +5 · 2 citations
Physics and Astronomy · Engineering · #Advanced Chemical Physics Studies #Spectroscopy and Quantum Chemical Studies #Molecular Junctions and Nanostructures
- The GW compendium: A practical guide to theoretical photoemission spectroscopy
2019/12/10 by Dorothea Golze, Marc Dvorak, Patrick Rinke · 1 voice · 1 citation
Physics and Astronomy · #cond-mat.mtrl-sci #physics.chem-ph #physics.comp-ph
- Efficient hyperparameter tuning for kernel ridge regression with\n Bayesian optimization
2020/04/01 by Annika Stuke, Patrick Rinke, Stuke, Annika +3 · 1 citation
Chemistry · Computer Science · Materials Science · #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Machine Learning and Data Classification #Machine Learning in Materials Science #Mass Spectrometry Techniques and Applications
- Exploring Noncollinear Magnetic Energy Landscapes with Bayesian Optimization
2024/12/21 by Jakob Baumsteiger, Baumsteiger, Jakob, Lorenzo Celiberti +7 · 2 citations
Physics and Astronomy · Economics, Econometrics and Finance · Computer Science · #Theoretical and Computational Physics #Complex Systems and Time Series Analysis #Neural Networks and Applications
- Similarity-Based Analysis of Atmospheric Organic Compounds for Machine Learning Applications
2024/06/26 by Hilda Sandström, Sandström, Hilda, Patrick Rinke +1 · 2 citations
Engineering · Environmental Science · #Advanced Chemical Sensor Technologies #Air Quality Monitoring and Forecasting #Water Quality Monitoring and Analysis