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

Fratesi, G.;Brivio, G. P.;Rinke, Patrick;Godby, R. W.
Image resonance in the many-body density of states at a metal surface
Physical Review B 2003-11
2003
68
19