Oliver T. Unke
0000-0001-7503-406X
Publication & Citation Trends
Most Cited Works
Publications
80 total
Molecular Simulations with a Pretrained Neural Network and Universal Pairwise Force Fields PDF
Cited by 42
OpenAlex
Biomolecular dynamics with machine-learned quantum-mechanical force fields trained on diverse chemical fragments PDF
Cited by 106
OpenAlex
Accurate global machine learning force fields for molecules with hundreds of atoms PDF
Cited by 164
OpenAlex
SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects PDF
Cited by 315
OpenAlex
Equivariant message passing for the prediction of tensorial properties and molecular spectra PDF
Cited by 266
OpenAlex
Reactive dynamics and spectroscopy of hydrogen transfer from neural network-based reactive potential energy surfaces PDF
Cited by 63
OpenAlex
PhysNet: A Neural Network for Predicting Energies, Forces, Dipole Moments, and Partial Charges PDF
Cited by 1,044
OpenAlex
Research Topics
Machine Learning in Materials Science
(42)
Protein Structure and Dynamics
(19)
Computational Drug Discovery Methods
(17)
Advanced Chemical Physics Studies
(12)
Spectroscopy and Quantum Chemical Studies
(6)
Frequent Co-Authors
Affiliations
United States Air Force Research Laboratory
Google (United States)
University of Basel
ETH Zurich
Google DeepMind (United Kingdom)