Search

Categories

Materials Chemistry

(1)

Theoretical and Computational Chemistry

(4)

Content Types

Working Paper

(4)

Published Date

Last 3 years

(4)

Last 12 months

(3)

Last 6 months

(3)

Last 3 months

(1)

Keywords

Authors

Georg. K. H. Madsen

4 results in Authors: Georg. K. H. Madsen

Theoretical and Computational Chemistry

EnzymeMap: Curation, validation and data-driven prediction of enzymatic reactions

Esther Heid, Daniel Probst, William H. Green, Georg K. H. Madsen

Version 2 posted 31 August 2023

1,129

Downloads

Theoretical and Computational Chemistry

Spatially resolved uncertainties for machine learning potentials

Esther Heid, Johannes Schörghuber, Ralf Wanzenböck, Georg. K. H. Madsen

Version 2 posted 02 August 2024

431

Downloads

Theoretical and Computational Chemistry

Exploring Inhomogeneous Surfaces: Evolutionary Exploration of Ti-rich SrTiO3(110) Surface Reconstructions via Active Learning

Ralf Wanzenböck, Esther Heid, Michele Riva, Giada Franceschi, Alexander M. Imre, Jesús Carrete, Ulrike Diebold, Georg K. H. Madsen

Version 3 posted 13 September 2024

445

Downloads

Theoretical and Computational Chemistry

LoGAN: Local generative adversarial network for novel structure prediction

Péter Kovács, Esther Heid, Jasper De Landsheere, Georg K. H. Madsen

Version 2 posted 03 July 2024

347

Downloads