Dielectric anisotropy in the GW space-time method. - Christoph Freysoldt; Philipp Eggert; Patrick Rinke; Arno Schindlmayr; R. W. Godby; Matthias Scheffler (Comput. Phys. Commun., 2007)

Hybrid functionals for large periodic systems in an all-electron, numeric atom-centered basis framework. - Sergey V. Levchenko; Xinguo Ren; Jürgen Wieferink; Rainer Johanni; Patrick Rinke; Volker Blum; Matthias Scheffler (Comput. Phys. Commun., 2015)

Lattice dynamics calculations based on density-functional perturbation theory in real space. - Honghui Shang; Christian Carbogno; Patrick Rinke; Matthias Scheffler (Comput. Phys. Commun., 2017)

Projective Preferential Bayesian Optimization. - Petrus Mikkola; Milica Todorovic; Jari Järvi; Patrick Rinke; Samuel Kaski (ICML, 2020)

DScribe: Library of descriptors for machine learning in materials science. - Lauri Himanen; Marc O. J. Jäger; Eiaki V. Morooka; Filippo Federici Canova; Yashasvi S. Ranawat; David Z. Gao; Patrick Rinke; Adam S. Foster (Comput. Phys. Commun., 2020)

Efficient hyperparameter tuning for kernel ridge regression with Bayesian optimization. - Annika Stuke; Patrick Rinke; Milica Todorovic (Mach. Learn. Sci. Technol., 2021)

Exploring the Conformers of an Organic Molecule on a Metal Cluster with Bayesian Optimization. - Lincan Fang; Xiaomi Guo; Milica Todorovic; Patrick Rinke; Xi Chen (J. Chem. Inf. Model., 2023)

Time-frequency component of the GreenX library: minimax grids for efficient RPA and textit{GW} calculations. - Maryam Azizi; Jan Wilhelm; Dorothea Golze; Matteo Giantomassi; Ramón L. Panadés-Barrueta; Francisco A. Delesma; Alexander Buccheri; Andris Gulans; Patrick Rinke; Claudia Draxl; Xavier Gonze (J. Open Source Softw., 2023)

Learning relevant contextual variables within Bayesian optimization. - Julien Martinelli; Ayush Bharti; Armi Tiihonen; S. T. John; Louis Filstroff; Sabina J. Sloman; Patrick Rinke; Samuel Kaski (UAI, 2024)

Active Learning of Molecular Data for Task-Specific Objectives. - Kunal Ghosh; Milica Todorovic; Aki Vehtari; Patrick Rinke (CoRR, 2024)