Publications by authors named "E Heid"

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GoFlow: efficient transition state geometry prediction with flow matching and E(3)-equivariant neural networks.
Leonard Galustian, Konstantin Mark, Johannes Karwounopoulos, Maximilian P-P Kovar, Esther Heid

Digit Discov· December 2025

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Graph-based prediction of reaction barrier heights with on-the-fly prediction of transition states.
Johannes Karwounopoulos, Jasper De Landsheere, Leonard Galustian, Tobias Jechtl, Esther Heid

Digit Discov· November 2025

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The density isobar of water: A comparative study of vdW-DF-cx and RPBE-D3.
Nina Bučková, Nico Unglert, Johannes Schörghuber, Esther Heid, Kristian Berland

J Chem Phys· September 2025

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From flat to stepped: active learning frameworks for investigating local structure at copper-water interfaces.
Johannes Schörghuber, Nina Bučková, Esther Heid, Georg K H Madsen

Phys Chem Chem Phys· April 2025

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Exploring inhomogeneous surfaces: Ti-rich SrTiO(110) reconstructions active learning.
Ralf Wanzenböck, Esther Heid, Michele Riva, Giada Franceschi, Alexander M Imre

Digit Discov· October 2024

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