Azizi, Maryam;Delesma, Francisco A.;Giantomassi, Matteo;Zavickis, Davis;Kuisma, Mikael;Thyghesen, Kristian;Golze, Dorothea;Buccheri, Alexander;Zhang, Min-Ye;Rinke, Patrick;Draxl, Claudia;Gulans, Andris;Gonze, Xavier
Precision benchmarks for solids: G0W0 calculations with different basis sets
Computational Materials Science 2025-02
2025
250
113655

Bortolussi, Federica;Sandström, Hilda;Partovi, Fariba;Mikkilä, Joona;Rinke, Patrick;Rissanen, Matti
Technical note: Towards atmospheric compound identification in chemical ionization mass spectrometry with pesticide standards and machine learning
Atmospheric Chemistry and Physics 2025-01
2025
25
1
685-704

Ghosh, Kunal;Todorović, Milica;Vehtari, Aki;Rinke, Patrick
Active learning of molecular data for task-specific objectives
The Journal of Chemical Physics 2025-01
2025
162
1

Iannacchero, Matteo;Löfgren, Joakim;Mohan, Mithila;Rinke, Patrick;Vapaavuori, Jaana
Machine learning-assisted development of polypyrrole-grafted yarns for e-textiles
Materials & Design 2025-01
2025
249
113528

Li, Jingrui;Pan, Fang;Zhang, Guo‐Xu;Liu, Zenghui;Dong, Hua;Wang, Dawei;Jiang, Zhuangde;Ren, Wei;Ye, Zuo‐Guang;Todorović, Milica;Rinke, Patrick
Structural Disorder by Octahedral Tilting in Inorganic Halide Perovskites: New Insight with Bayesian Optimization
Small Structures 2024-11
2024
5
11

Diment, Daryna;Löfgren, Joakim;Alopaeus, Marie;Stosiek, Matthias;Cho, MiJung;Xu, Chunlin;Hummel, Michael;Rigo, Davide;Rinke, Patrick;Balakshin, Mikhail
Enhancing Lignin‐Carbohydrate Complexes Production and Properties With Machine Learning
ChemSusChem 2024-12
2024

Diment D;Löfgren J;Alopaeus M;Stosiek M;Cho M;Xu C;Michael Hummel;Davide Rigo;Patrick Rinke;Mikhail Balakshin
AI-guided biorefinery optimization for the production of lignin-carbohydrate complexes with tailored properties
ChemRxiv. 2024-12
2024

Härkönen, Ville J.;Rossi, Tuomas P.;Kuisma, Mikael;Rinke, Patrick;Chen, Xi
Enhancement of molecular circular dichroism with silver nanoparticles
Physical Review B 2024-09
2024
110
11

Azizi, Maryam;Wilhelm, Jan;Golze, Dorothea;Delesma, Francisco A.;Panadés-Barrueta, Ramón L.;Rinke, Patrick;Giantomassi, Matteo;Gonze, Xavier
Validation of the GreenX library time-frequency component for efficient GW and RPA calculations
Physical Review B 2024-06
2024
109
24

Stosiek Matthias, Evers Ferdinand
Properties of self-consistent random matrices: Case study for the superconductor-insulator transition
CMD27: DPG Spring meeting 2018 - Joint Meeting of the DPG and EPS Condensed Matter Divisions together with the Statistical and Nonlinear Physics Division of the EPS and the working groups Equal Opportunities (DPG), Industry and Business (DPG)
Verhandlungen der Deutschen Physikalischen Gesellschaft; ISSN 0420-0195; Worldcat; CODEN VDPEAZ; (Berlin 2018 issue); [1 p.] 11-16 Mar 2018-03
Deutschen Physikalischen Gesellschaft
2018