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Patrick Reiser — most-cited papers & profile · AI for Science
← authors
·
overview
Patrick Reiser
8
papers ·
1539
citations ·
15
h-index
Karlsruhe Institute of Technology
Google Scholar ↗
Semantic Scholar ↗
OpenAlex ↗
Most-cited papers
Graph neural networks for materials science and chemistry
2022 · 746 citations
Accurate GW frontier orbital energies of 134 kilo molecules
2023 · 22 citations
Connectivity Optimized Nested Graph Networks for Crystal Structures
2023 · 9 citations
Neural networks trained on synthetically generated crystals can extract structural information from ICSD powder X-ray diffractograms
2023 · 7 citations
Learning Potential Energy Surfaces of Hydrogen Atom Transfer Reactions in Peptides
2025
Charge Transfer Simulations using Hamiltonian Elements and Forces from Neural Networks
2022
Top co-authors
Pascal Friederich
· 6
Henrik Schopmans
· 2
Marlen Neubert
· 2
Andr\'e Eberhard
· 1
and Weiwei Xie
· 1
Artem Fediai
· 1
Chen Shao
· 1
Chen Zhou
· 1
Clint van Hoesel
· 1
Frauke Gr\"ater
· 1
Houssam Metni
· 1
Jan St\"uhmer
· 1
Topics
Chemistry
Materials
Physics ML
Protein Science