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

Delesma, Francisco A.;Leucke, Moritz;Golze, Dorothea;Rinke, Patrick
Benchmarking the accuracy of the separable resolution of the identity approach for correlated methods in the numeric atom-centered orbitals framework
The Journal of Chemical Physics 2024-01
2024
160
2

Sandström, Hilda;Rissanen, Matti;Rousu, Juho;Rinke, Patrick
Data‐Driven Compound Identification in Atmospheric Mass Spectrometry
Advanced Science 2024-02
2024
02

Fang, Lincan;Laakso, Jarno;Rinke, Patrick;Chen, Xi
Machine-learning accelerated structure search for ligand-protected clusters
The Journal of Chemical Physics 2024-03
2024
160
9

Besel, Vitus;Todorović, Milica;Kurtén, Theo;Vehkamäki, Hanna;Rinke, Patrick
The search for sparse data in molecular datasets: Application of active learning to identify extremely low volatile organic compounds
Journal of Aerosol Science 2024-06
2024
179
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