Johannes Kästner

Publication Activity (10 Years)

Years Active: 2011-2024
Publications (10 Years): 7

Top Topics

Experimental Designs

Active Learning

Projective Invariants

Surface Registration

Top Venues

Mach. Learn. Sci. Technol.

J. Comput. Chem.

J. Mach. Learn. Res.

Publications

Fabian Zills, Moritz Schäfer, Samuel Tovey, Johannes Kästner, Christian Holm
ZnTrack - Data as Code. CoRR (2024)
David Holzmüller, Viktor Zaverkin, Johannes Kästner, Ingo Steinwart
A Framework and Benchmark for Deep Batch Active Learning for Regression. J. Mach. Learn. Res. 24 (2023)
David Holzmüller, Viktor Zaverkin, Johannes Kästner, Ingo Steinwart
A Framework and Benchmark for Deep Batch Active Learning for Regression. CoRR (2022)
Viktor Zaverkin, Johannes Kästner
Exploration of transferable and uniformly accurate neural network interatomic potentials using optimal experimental design. Mach. Learn. Sci. Technol. 2 (3) (2021)
April M. Miksch, Tobias Morawietz, Johannes Kästner, Alexander Urban, Nongnuch Artrith
Strategies for the construction of machine-learning potentials for accurate and efficient atomic-scale simulations. Mach. Learn. Sci. Technol. 2 (3) (2021)
Sean McConnell, Johannes Kästner
Instanton rate constant calculations using interpolated potential energy surfaces in nonredundant, rotationally and translationally invariant coordinates. J. Comput. Chem. 40 (7) (2019)
Sean McConnell, Johannes Kästner
Instanton rate constant calculations close to and above the crossover temperature. J. Comput. Chem. 38 (30) (2017)
Jan Meisner, Judith B. Rommel, Johannes Kästner
Kinetic isotope effects calculated with the instanton method. J. Comput. Chem. 32 (16) (2011)