Oliver T. Unke

Orcid: 0000-0001-7503-406X

According to our database1, Oliver T. Unke authored at least 13 papers between 2017 and 2024.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

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Bibliography

2024
Complete and Efficient Covariants for 3D Point Configurations with Application to Learning Molecular Quantum Properties.
CoRR, 2024

E3x: E(3)-Equivariant Deep Learning Made Easy.
CoRR, 2024

2023
From Peptides to Nanostructures: A Euclidean Transformer for Fast and Stable Machine Learned Force Fields.
CoRR, 2023

2022
So3krates - Self-attention for higher-order geometric interactions on arbitrary length-scales.
CoRR, 2022

Accurate Machine Learned Quantum-Mechanical Force Fields for Biomolecular Simulations.
CoRR, 2022

Automatic Identification of Chemical Moieties.
CoRR, 2022

So3krates: Equivariant attention for interactions on arbitrary length-scales in molecular systems.
Proceedings of the Advances in Neural Information Processing Systems 35: Annual Conference on Neural Information Processing Systems 2022, 2022

2021
SpookyNet: Learning Force Fields with Electronic Degrees of Freedom and Nonlocal Effects.
CoRR, 2021

SE(3)-equivariant prediction of molecular wavefunctions and electronic densities.
Proceedings of the Advances in Neural Information Processing Systems 34: Annual Conference on Neural Information Processing Systems 2021, 2021

Equivariant message passing for the prediction of tensorial properties and molecular spectra.
Proceedings of the 38th International Conference on Machine Learning, 2021

2020
High-dimensional potential energy surfaces for molecular simulations: from empiricism to machine learning.
Mach. Learn. Sci. Technol., 2020

2017
Toolkit for the Construction of Reproducing Kernel-Based Representations of Data: Application to Multidimensional Potential Energy Surfaces.
J. Chem. Inf. Model., August, 2017

Migration of small ligands in globins: Xe diffusion in truncated hemoglobin N.
PLoS Comput. Biol., 2017


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