Johannes Kästner

12 papers Journal 11Unranked 1
YearRankTypeTitle / Venue / Authors
2026 J jnl
Adaptive Transition-State Refinement with Learned Equilibrium Flows.
J. Chem. Inf. Model.
Samir Darouich, Vinh Tong, Tanja Bien, Johannes Kästner, Mathias Niepert
2025 J jnl
Apax: A Flexible and Performant Framework for the Development of Machine-Learned Interatomic Potentials.
J. Chem. Inf. Model.
Moritz Schäfer, Nico Segreto, Fabian Zills, Christian Holm, Johannes Kästner
2025 J jnl
Insights into the Catalytic Mechanism and Selectivity of
J. Chem. Inf. Model.
Néstor Gutiérrez-Sánchez, Johannes Kästner, Fernando Mendizábal, Sebastián Miranda-Rojas
2024 J jnl
ZnTrack - Data as Code.
CoRR
Fabian Zills, Moritz Schäfer, Samuel Tovey, Johannes Kästner, Christian Holm
2023 J jnl
A Framework and Benchmark for Deep Batch Active Learning for Regression.
J. Mach. Learn. Res.
David Holzmüller, Viktor Zaverkin, Johannes Kästner, Ingo Steinwart
2023 — conf
Verkaufsverbot für Silvesterfeuerwerk 2020 und 2021 - Eine Analyse der Auswirkungen auf die Luftqualität.
SKILL
Valer Barts, Florian Becker, Johannes Kästner
2022 J jnl
A Framework and Benchmark for Deep Batch Active Learning for Regression.
CoRR
David Holzmüller, Viktor Zaverkin, Johannes Kästner, Ingo Steinwart
2021 J jnl
Exploration of transferable and uniformly accurate neural network interatomic potentials using optimal experimental design.
Mach. Learn. Sci. Technol.
Viktor Zaverkin, Johannes Kästner
2021 J jnl
Strategies for the construction of machine-learning potentials for accurate and efficient atomic-scale simulations.
Mach. Learn. Sci. Technol.
April M. Miksch, Tobias Morawietz, Johannes Kästner, Alexander Urban, Nongnuch Artrith
2019 J jnl
Instanton rate constant calculations using interpolated potential energy surfaces in nonredundant, rotationally and translationally invariant coordinates.
J. Comput. Chem.
Sean McConnell, Johannes Kästner
2017 J jnl
Instanton rate constant calculations close to and above the crossover temperature.
J. Comput. Chem.
Sean McConnell, Johannes Kästner
2011 J jnl
Kinetic isotope effects calculated with the instanton method.
J. Comput. Chem.
Jan Meisner, Judith B. Rommel, Johannes Kästner