Patrick Rinke

Munich Center for Quantum Science and Technology — Germany

Physics and Astronomy · Physical Sciences

65h-index13.4kcitations334works2.32yr avg
OpenAlex↗ORCID↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Advanced Chemical Physics Studies(78), Machine Learning in Materials Science(75), Electronic and Structural Properties of Oxides(30), ZnO doping and properties(25), Spectroscopy and Quantum Chemical Studies(24)

Publications334 total

Design rules for optimizing quaternary mixed-metal chalcohalides
Physical Review Materials·2025Open Access
Leveraging active learning-enhanced machine-learned interatomic potential for efficient infrared spectra prediction
npj Computational Materials·2025Open Access
An interpretable molecular descriptor for machine learning predictions in atmospheric science
arXiv (Cornell University)·2025Open Access
Traffic-Emitted Amines Promote New Particle Formation at Roadsides
ACS ES&T Air·2025· 4 citedOpen Access
Machine learning accelerated descriptor design for catalyst discovery in CO2 to methanol conversion
npj Computational Materials·2025· 7 citedOpen Access
Leveraging active learning-enhanced machine-learned interatomic potential for efficient infrared spectra prediction
arXiv (Cornell University)·2025Open Access
SP-LCC — a dataset on the structure and properties of lignin-carbohydrate complexes from hardwood
Scientific Data·2025· 2 citedOpen Access
Author response for "Exploring Noncollinear Magnetic Energy Landscapes with Bayesian Optimization"
2025
Similarity-based analysis of atmospheric organic compounds for machine learning applications
Geoscientific model development·2025· 3 citedOpen Access
Efficient dataset generation for machine learning halide perovskite alloys
Physical Review Materials·2025· 2 citedOpen Access
Author response for "Exploring Noncollinear Magnetic Energy Landscapes with Bayesian Optimization"
2025
Correction to “Assessing the <i>G</i><sub>0</sub><i>W</i><sub>0</sub><i>Γ</i><sub>0</sub><sup>(1)</sup> Approach: Beyond <i>G</i><sub>0</sub><i>W</i><sub>0</sub> with Hedin’s Full Second-Order Self-Energy Contribution”
Journal of Chemical Theory and Computation·2025
Data-efficient optimization of thermally-activated polymer actuators through machine learning
Materials & Design·2025· 4 citedOpen Access
Machine Learning Interatomic Potential for Atmospheric Chemistry
2025Open Access
Hydration layer structure and ice nucleation ability of K-feldspar surfaces investigated using molecular dynamics and machine learning
2025Open Access
Towards Atmospheric Compound Identification: A Reference Library of Simulated Electron Ionization Mass Spectra
2025Open Access
ATMOMACCS: Predicting atmospheric compound properties
2025Open Access
Exploring the Role of Highly Oxygenated Organic Molecules in New Particle Formation Events with Explainable Artificial Intelligence
2025Open Access
Precision benchmarks for solids: <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si190.svg" display="inline" id="d1e2790"> <mml:mrow> <mml:msub> <mml:mrow> <mml:mi>G</mml:mi> </mml:mrow> <mml:mrow> <mml:mn>0</mml:mn> </mml:mrow> </mml:msub> <mml:msub> <mml:mrow> <mml:mi>W</mml:mi> </mml:mrow> <mml:mrow> <mml:mn>0</mml:mn> </mml:mrow> </mml:msub> </mml:mrow> </mml:math> calculations with different basis sets
Computational Materials Science·2025· 3 citedOpen Access
Technical note: Towards atmospheric compound identification in chemical ionization mass spectrometry with pesticide standards and machine learning
Atmospheric chemistry and physics·2025· 5 citedOpen Access
page 1 of 17Next →

Frequent Co-authors

Matthias Scheffler(30), Xinguo Ren(14), Chris G. Van de Walle(10), Fabio Caruso(7), Volker Blüm(5), Anderson Janotti(5), Emmanouil Kioupakis(4), A. Qteish(4), Jörg Neugebauer(4), Milica Todorović(4), Hong Jiang(4), Ángel Rubio(4), Jürgen Wieferink(3), Alexandre Tkatchenko(3), Kris T. Delaney(3), Michiel J. van Setten(3), Ricardo I. Gómez-Abal(3), Thomas Körzdörfer(3), Noa Marom(3), Oliver T. Hofmann(3)