Georg K H Madsen

ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 19

Top Venues

Journal of chemical information and modeling

The journal of physical chemistry. C, Nanomaterials and interfaces

Chemical science

Digital discovery

Technische Universität Wien

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

Affiliation History

Technische Universität Wien Sep 01 2016

Austria

Professor :: Institute of Materials Chemistry

Ruhr-Universität Bochum Jun 01 2009 - Aug 31 2016

Germany

Group leader :: ICAMS

Publications

Esther Heid, Johannes Schörghuber, Ralf Wanzenböck, Georg K H Madsen
Spatially Resolved Uncertainties for Machine Learning Potentials. Journal of chemical information and modeling 64 (16) (2024)
Esther Heid, Johannes Schörghuber, Ralf Wanzenböck, Georg K H Madsen
Spatially Resolved Uncertainties for Machine Learning Potentials. Journal of chemical information and modeling (2024)
Esther Heid, Johannes Schörghuber, Ralf Wanzenböck, Georg K H Madsen
Spatially Resolved Uncertainties for Machine Learning Potentials. Journal of chemical information and modeling 64 (16) (2024)
Lijun Pan, Jesús Carrete, Zhao Wang, Georg K H Madsen
Phonon Transport in Defect-Laden Bilayer Janus PtSTe Studied Using Neural-Network Force Fields. The journal of physical chemistry. C, Nanomaterials and interfaces 128 (26) (2024)
Esther Heid, Johannes Schörghuber, Ralf Wanzenböck, Georg K H Madsen
Spatially Resolved Uncertainties for Machine Learning Potentials. Journal of chemical information and modeling 64 (16) (2024)
Ali Rafsanjani-Abbasi, Florian Buchner, Faith J Lewis, Lena Puntscher, Florian Kraushofer, Panukorn Sombut, Moritz Eder, Jiří Pavelec, Erik Rheinfrank, Giada Franceschi, Viktor Birschitzky, Michele Riva, Cesare Franchini, Michael Schmid, Ulrike Diebold, Matthias Meier, Georg K H Madsen, Gareth S Parkinson
Digging Its Own Site: Linear Coordination Stabilizes a Pt 1 /Fe 2 O 3 Single-Atom Catalyst. ACS nano (2024)
Srinivasan Mahendran, Jesús Carrete, Andreas Isacsson, Georg K H Madsen, Paul Erhart
Quantitative Predictions of the Thermal Conductivity in Transition Metal Dichalcogenides: Impact of Point Defects in MoS 2 and WS 2 Monolayers. The journal of physical chemistry. C, Nanomaterials and interfaces 128 (4) (2024)
Lijun Pan, Jesús Carrete, Zhao Wang, Georg K H Madsen
Phonon Transport in Defect-Laden Bilayer Janus PtSTe Studied Using Neural-Network Force Fields. The journal of physical chemistry. C, Nanomaterials and interfaces 128 (26) (2024)
Srinivasan Mahendran, Jesús Carrete, Andreas Isacsson, Georg K H Madsen, Paul Erhart
Quantitative Predictions of the Thermal Conductivity in Transition Metal Dichalcogenides: Impact of Point Defects in MoS 2 and WS 2 Monolayers. The journal of physical chemistry. C, Nanomaterials and interfaces 128 (4) (2024)
Esther Heid, Daniel Probst, William H Green, Georg K H Madsen
EnzymeMap: curation, validation and data-driven prediction of enzymatic reactions. Chemical science 14 (48) (2023)
Jesús Carrete, Hadrián Montes-Campos, Ralf Wanzenböck, Esther Heid, Georg K H Madsen
Deep ensembles vs committees for uncertainty estimation in neural-network force fields: Comparison and application to active learning. The Journal of chemical physics 158 (20) (2023)
Esther Heid, Daniel Probst, William H Green, Georg K H Madsen
EnzymeMap: curation, validation and data-driven prediction of enzymatic reactions. Chemical science 14 (48) (2023)
Ralf Wanzenböck, Marco Arrigoni, Sebastian Bichelmaier, Florian Buchner, Jesús Carrete, Georg K H Madsen
Neural-network-backed evolutionary search for SrTiO 3 (110) surface reconstructions. Digital discovery 1 (5) (2022)
Péter Kovács, Fabien Tran, Allan Hanbury, Georg K H Madsen
Similarity Clustering for Representative Sets of Inorganic Solids for Density Functional Testing. Journal of chemical theory and computation 18 (1) (2021)
Xiaoqi Zhou, Zhisen Meng, Sylvain Picaud, Michel Devel, Jesús Carrete, Georg K H Madsen, Yulu Zhou, Zhao Wang
Influence of Onion-like Carbonaceous Particles on the Aggregation Process of Hydrocarbons. ACS omega 6 (42) (2021)
Hadrián Montes-Campos, Jesús Carrete, Sebastian Bichelmaier, Luis Miguel Varela, Georg K H Madsen
A Differentiable Neural-Network Force Field for Ionic Liquids. Journal of chemical information and modeling 62 (1) (2021)
Emir Al-Sayed, Sreejith P Nandan, Elias Tanuhadi, Gerald Giester, Marco Arrigoni, Georg K H Madsen, Alexey S Cherevan, Dominik Eder, Annette Rompel
Phosphate-Templated Encapsulation of a {CoII 4 O4 } Cubane in Germanotungstates as Carbon-Free Homogeneous Water Oxidation Photocatalysts. ChemSusChem 14 (12) (2021)
Tao Wang, Jesús Carrete, Natalio Mingo, Georg K H Madsen
Phonon Scattering by Dislocations in GaN. ACS applied materials & interfaces 11 (8) (2019)
Fleur Legrain, Ambroise van Roekeghem, Stefano Curtarolo, Jesús Carrete, Georg K H Madsen, Natalio Mingo
Vibrational Properties of Metastable Polymorph Structures by Machine Learning. Journal of chemical information and modeling 58 (12) (2018)

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Publication Activity (10 Years)

Top Topics

Top Venues

Georg K H Madsen