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Nils Gönnheimer

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Journal of Chemical Theory and Computation|April 25, 2025
Beyond Numerical Hessians: Higher-Order Derivatives for Machine Learning Interatomic Potentials via Automatic DifferentiationNils Gönnheimer, Karsten Reuter, Johannes T Margraf
Chemistry (Weinheim an Der Bergstrasse, Germany)|January 17, 2020
An Air-Stable, Neutral Phenothiazinyl Radical with Substantial Radical Stabilization EnergyLukas M Sigmund, Fabian Ebner, Christoph Jöst, et al.
Journal of Chemical Theory and Computation|December 12, 2024
Efficient Composite Infrared Spectroscopy: Combining the Double-Harmonic Approximation with Machine Learning PotentialsPhilipp Pracht, Yuthika Pillai, Venkat Kapil, et al.
Pageof 1

Showing results (1-10 of 3) with videos related to

Sort By:
Pageof 1
Journal of Chemical Theory and Computation|April 25, 2025
Beyond Numerical Hessians: Higher-Order Derivatives for Machine Learning Interatomic Potentials via Automatic DifferentiationNils Gönnheimer, Karsten Reuter, Johannes T Margraf
Chemistry (Weinheim an Der Bergstrasse, Germany)|January 17, 2020
An Air-Stable, Neutral Phenothiazinyl Radical with Substantial Radical Stabilization EnergyLukas M Sigmund, Fabian Ebner, Christoph Jöst, et al.
Journal of Chemical Theory and Computation|December 12, 2024
Efficient Composite Infrared Spectroscopy: Combining the Double-Harmonic Approximation with Machine Learning PotentialsPhilipp Pracht, Yuthika Pillai, Venkat Kapil, et al.
Pageof 1