Patrick Rinke (Lauri Himanen)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2019-2023
Publications (10 Years): 24

Top Topics

Perovskite Solar Cells

Density Functional Theory

Mass Spectrometry

Top Venues

Journal of chemical theory and computation

Journal of chemical information and modeling

Advanced science (Weinheim, Baden-Wurttemberg, Germany)

Chemistry of materials : a publication of the American Chemical Society

This page only lists publications with an associated author ORCID identifier.

Publications

Jarno Laakso, Lauri Himanen, Henrietta Homm, Eiaki V Morooka, Marc O J Jäger, Milica Todorović, Patrick Rinke
Updates to the DScribe library: New descriptors and derivatives. The Journal of chemical physics 158 (23) (2023)
Lincan Fang, Xiaomi Guo, Milica Todorović, Patrick Rinke, Xi Chen
Exploring the Conformers of an Organic Molecule on a Metal Cluster with Bayesian Optimization. Journal of chemical information and modeling 63 (3) (2023)
Lincan Fang, Xiaomi Guo, Milica Todorović, Patrick Rinke, Xi Chen
Exploring the Conformers of an Organic Molecule on a Metal Cluster with Bayesian Optimization. Journal of chemical information and modeling 63 (3) (2023)
Vitus Besel, Milica Todorović, Theo Kurtén, Patrick Rinke, Hanna Vehkamäki
Atomic structures, conformers and thermodynamic properties of 32k atmospheric molecules. Scientific data 10 (1) (2023)
Lincan Fang, Xiaomi Guo, Milica Todorović, Patrick Rinke, Xi Chen
Exploring the Conformers of an Organic Molecule on a Metal Cluster with Bayesian Optimization. Journal of chemical information and modeling (2023)
Lincan Fang, Xiaomi Guo, Milica Todorović, Patrick Rinke, Xi Chen
Exploring the Conformers of an Organic Molecule on a Metal Cluster with Bayesian Optimization. Journal of chemical information and modeling 63 (3) (2023)
Pascal Henkel, Jingrui Li, G Krishnamurthy Grandhi, Paola Vivo, Patrick Rinke
Correction to "Screening Mixed-Metal Sn 2 M(III)Ch 2 X 3 Chalcohalides for Photovoltaic Applications". Chemistry of materials : a publication of the American Chemical Society 35 (21) (2023)
Hilda Sandström, Matti Rissanen, Juho Rousu, Patrick Rinke
Data-Driven Compound Identification in Atmospheric Mass Spectrometry. Advanced science (Weinheim, Baden-Wurttemberg, Germany) (2023)
Lincan Fang, Xiaomi Guo, Milica Todorović, Patrick Rinke, Xi Chen
Exploring the Conformers of an Organic Molecule on a Metal Cluster with Bayesian Optimization. Journal of chemical information and modeling 63 (3) (2023)
Azimatu Fangnon, Marc Dvorak, Ville Havu, Milica Todorović, Jingrui Li, Patrick Rinke
Protective Coating Interfaces for Perovskite Solar Cell Materials: A First-Principles Study. ACS applied materials & interfaces 14 (10) (2022)
Xiaomi Guo, Lincan Fang, Yong Xu, Wenhui Duan, Patrick Rinke, Milica Todorović, Xi Chen
Molecular Conformer Search with Low-Energy Latent Space. Journal of chemical theory and computation 18 (7) (2022)
Jiachen Li, Ye Jin, Patrick Rinke, Weitao Yang, Dorothea Golze
Benchmark of GW Methods for Core-Level Binding Energies. Journal of chemical theory and computation (2022)
Yi Yao, Dorothea Golze, Patrick Rinke, Volker Blum, Yosuke Kanai
All-Electron BSE@ GW Method for K -Edge Core Electron Excitation Energies. Journal of chemical theory and computation 18 (3) (2022)
Dorothea Golze, Markus Hirvensalo, Patricia Hernández-León, Anja Aarva, Jarkko Etula, Toma Susi, Patrick Rinke, Tomi Laurila, Miguel A Caro
Accurate Computational Prediction of Core-Electron Binding Energies in Carbon-Based Materials: A Machine-Learning Model Combining Density-Functional Theory and GW . Chemistry of materials : a publication of the American Chemical Society 34 (14) (2022)
Soo-Ah Jin, Tero Kämäräinen, Patrick Rinke, Orlando J Rojas, Milica Todorović
Machine learning as a tool to engineer microstructures: Morphological prediction of tannin-based colloids using Bayesian surrogate models. MRS bulletin 47 (1) (2022)
Avijit Kumar, Kaustuv Banerjee, Mikko M Ervasti, Shawulienu Kezilebieke, Marc Dvorak, Patrick Rinke, Ari Harju, Peter Liljeroth
Electronic Characterization of a Charge-Transfer Complex Monolayer on Graphene. ACS nano 15 (6) (2021)
Fabien Bruneval, Mauricio Rodriguez-Mayorga, Patrick Rinke, Marc Dvorak
Improved One-Shot Total Energies from the Linearized GW Density Matrix. Journal of chemical theory and computation 17 (4) (2021)
Lincan Fang, Esko Makkonen, Milica Todorović, Patrick Rinke, Xi Chen
Efficient Amino Acid Conformer Search with Bayesian Optimization. Journal of chemical theory and computation 17 (3) (2021)
Rina Ibragimova, Paul Erhart, Patrick Rinke, Hannu-Pekka Komsa
Surface Functionalization of 2D MXenes: Trends in Distribution, Composition, and Electronic Properties. The journal of physical chemistry letters 12 (9) (2021)
Yanyong Wang, Patrick Rinke, Xinguo Ren
Assessing the G0W0Γ0(1) Approach: Beyond G0W0 with Hedin's Full Second-Order Self-Energy Contribution. Journal of chemical theory and computation 17 (8) (2021)
Jari Järvi, Patrick Rinke, Milica Todorović
Detecting stable adsorbates of (1S)-camphor on Cu(111) with Bayesian optimization. Beilstein journal of nanotechnology 11 (2020)
Annika Stuke, Christian Kunkel, Dorothea Golze, Milica Todorović, Johannes T Margraf, Karsten Reuter, Patrick Rinke, Harald Oberhofer
Atomic structures and orbital energies of 61,489 crystal-forming organic molecules. Scientific data 7 (1) (2020)
Patrick Rinke, Amber Geurts, Adam Stuart Foster, Patrick Rinke
Data-Driven Materials Science: Status, Challenges, and Perspectives. Advanced science (Weinheim, Baden-Wurttemberg, Germany) 6 (21) (2019)
Kunal Ghosh, Annika Stuke, Milica Todorović, Peter Bjørn Jørgensen, Mikkel N Schmidt, Aki Vehtari, Patrick Rinke
Deep Learning Spectroscopy: Neural Networks for Molecular Excitation Spectra. Advanced science (Weinheim, Baden-Wurttemberg, Germany) 6 (9) (2019)