基本信息
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Bio
I work on machine-learning models for molecules and materials. After studying computer science, I obtained my Ph.D. in bioinformatics at the University of Frankfurt in 2009. I then worked as a postdoctoral researcher on cheminformatics at the Helmholtz center in Munich, machine learning at the Technical University of Berlin, computer-assisted drug design at ETH Zurich, and physical chemistry at the University of Basel. At the Fritz Haber Institute of the Max Planck Society I led the research group on Machine Learning for Materials. My last position in industry was as Applied Scientist with Citrine Informatics, a start-up working on active learning for industrial materials discovery and optimization. My last position in academia was as faculty member at the Department of Computer and Information Science of the University of Konstanz, Germany. I am currently a research group leader at the Luxembourg Institute of Science and Technology (LIST).
Research Interests
Papers共 110 篇Author StatisticsCo-AuthorSimilar Experts
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Igor Poltavsky, Anton Charkin-Gorbulin, Mirela Puleva,Gregory Fonseca,Ilyes Batatia,Nicholas J. Browning,Stefan Chmiela, Mengnan Cui,J. Thorben Frank,Stefan Heinen,Bing Huang,Silvan Kaser,Adil Kabylda,Danish Khan,Carolin Mueller,Alastair J. A. Price,Kai Riedmiller,Kai Toepfer,Tsz Wai Ko,Markus Meuwly,Matthias Rupp,Gabor Csanyi,O. Anatole von Lilienfeld,Johannes T. Margraf,Klaus-Robert Mueller,Alexandre Tkatchenko
CHEMICAL SCIENCE (2025)
Juraj Velcicky, Estelle Ngo,Matthias R. Bauer,Arndt Meyer,Achim Schlapbach,Sophie Racine,David Orain,Daniel Pflieger, Sylvie Teixeira-Fouchard,Celine Dubois, Alban Goetz, Roland Steiner,Marco Palmieri, Alex Bussenault,Rowan Stringer, Patrice Larger, Simone Riek, Patrick Schmutz,Sylvie Lehmann,Clemens Scheufler,Jean-Michel Rondeau,Christoph Burkhart,Thomas Knoepfel,Nina Gommermann
CHEMMEDCHEM (2025)
Igor Poltavsky, Mirela Puleva, Anton Charkin-Gorbulin,Gregory Fonseca,Ilyes Batatia,Nicholas J. Browning,Stefan Chmiela, Mengnan Cui,J. Thorben Frank,Stefan Heinen,Bing Huang,Silvan Kaser,Adil Kabylda,Danish Khan,Carolin Mueller,Alastair J. A. Price,Kai Riedmiller,Kai Topfer,Tsz Wai Ko,Markus Meuwly,Matthias Rupp,Gabor Csanyi,O. Anatole von Lilienfeld,Johannes T. Margraf,Klaus-Robert Mueller,Alexandre Tkatchenko
CHEMICAL SCIENCE (2025)
Gregor S. Cremosnik,Yannick Mesrouze, Patrik Zueger, David Furkert, Frederic Grandjean, Dayana Argoti,Fanny Mermet-Meillon,Matthias R. Bauer,Scott Brittain, Phuong Rogemoser,Winnie Yang, Jerome Giovannoni,Lynn Mcgregor, Jenny Tang,Mark Knapp, Sandra Holzinger,Sylvia Buhr,Lionel Muller,Lukas Leder,Lili Xie,Cesar Fernandez,Cristina Nieto-Oberhuber,Patrick Chene,Giorgio G. Galli,Fabian Sesterhenn
ARCHITECTURE OF COMPUTING SYSTEMS, ARCS 2024 (2024): 208-221
Simon C. C. Lucas, Afshan Ahmed, S. Neha Ashraf,Argyrides Argyrou,Matthias R. Bauer,Gian Marco De Donatis,Sylvain Demanze, Frederik Eisele,Lucia Fusani,Andreas Hock,Ganesh Kadamur, Shuyou Li, Abigail Macmillan-Jones,Iacovos N. Michaelides,Christopher Phillips, Marie Rehnstrom, Magdalena Richter,Monica C. Rodrigo-Brenni,Fiona Shilliday, Peng Wang,R. Ian Storer
Journal of Medicinal Chemistryno. 7 (2024): 5538-5566
CoRR (2024)
Juraj Velcicky,Matthias R. Bauer,Achim Schlapbach,Guillaume Lapointe,Arndt Meyer,Markus Vogtle,Ernst Blum, Estelle Ngo, Catherine Rolando,Pierre Nimsgern, Sylvie Teixeira-Fouchard,Hansjoerg Lehmann,Pascal Furet,Frederic Berst, Jens Schumann,Rowan Stringer, Patrice Larger, Cindy Schmid, Catriona T. Prendergast, Simone Riek, Patrick Schmutz,Sylvie Lehmann,Jorg Berghausen,Clemens Scheufler,Jean-Michel Rondeau, Christoph Burkhart,Thomas Knoepfel,Nina Gommermann
Journal of Medicinal Chemistry (2024)
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Author Statistics
#Papers: 111
#Citation: 9857
H-Index: 41
G-Index: 87
Sociability: 6
Diversity: 3
Activity: 36
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