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Stefan Gugler — most-cited papers & profile · AI for Science
← authors
·
overview
Stefan Gugler
6
papers ·
42
citations ·
8
h-index
Berlin Institute for the Foundations of Learning and Data · Technische Universität Berlin
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Most-cited papers
Ligand additivity relationships enable efficient exploration of transition metal chemical space
2022 · 23 citations
Quantum chemical roots of machine-learning molecular similarity descriptors
2022 · 18 citations
How simple can you go? An off-the-shelf transformer approach to molecular dynamics
2025 · 1 citations
ReactionAtlas: Ab origine exploration of chemical reaction networks with machine learning
2026
Molecular Similarity in Machine Learning of Energies in Chemical Reaction Networks
2025
Top co-authors
Markus Reiher
· 2
Max Eissler
· 2
Aditya Nandy
· 1
and Heather J. Kulik
· 1
Chenru Duan
· 1
Daniel B. K. Chu
· 1
Jonas Oldenstaedt
· 1
Jon Paul Janet
· 1
Khaled Kahouli
· 1
Klaus-Robert M\"uller
· 1
Klaus‐Robert Müller
· 1
Michael G. Taylor
· 1
Topics
Chemistry
Materials
Physics ML
Drug Discovery