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Zhang, Yuhao;Vaara, Maija;Alesafar, Azin;Nguyen, Duc Bach;Silva, Pedro;Koskelo, Laura;Ristolainen, Jussi;Stosiek, Matthias;Löfgren, Joakim;Vapaavuori, Jaana;Rinke, Patrick
Data-efficient optimization of thermally-activated polymer actuators through machine learning
Materials & Design 2025-05
2025
253
113908

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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

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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

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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

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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