Tobias Morawietz

Publication Activity (10 Years)

Years Active: 2018-2021
Publications (10 Years): 7

Top Topics

Machine Learning

Molecular Dynamics Simulations

Top Venues

The journal of physical chemistry letters

The Journal of chemical physics

Journal of computer-aided molecular design

Molecules (Basel, Switzerland)

This page only lists publications with an associated author ORCID identifier.

Publications

Lina Humbeck, Tobias Morawietz, Noe Sturm, Adam Zalewski, Simon Emanuel Harnqvist, Wouter Heyndrickx, Matthew Holmes, Bernd Beck
Don't Overweight Weights: Evaluation of Weighting Strategies for Multi-Task Bioactivity Classification Models. Molecules (Basel, Switzerland) 26 (22) (2021)
Michael S Chen, Tobias Morawietz, Hideki Mori, Thomas E Markland, Nongnuch Artrith
AENET-LAMMPS and AENET-TINKER: Interfaces for accurate and efficient molecular dynamics simulations with machine learning potentials. The Journal of chemical physics 155 (7) (2021)
Tobias Morawietz, Nongnuch Artrith
Machine learning-accelerated quantum mechanics-based atomistic simulations for industrial applications. Journal of computer-aided molecular design 35 (4) (2020)
Michael S Chen, Tim J Zuehlsdorff, Tobias Morawietz, Christine M Isborn, Thomas E Markland
Exploiting Machine Learning to Efficiently Predict Multidimensional Optical Spectra in Complex Environments. The journal of physical chemistry letters 11 (18) (2020)
Andreas Singraber, Tobias Morawietz, Jörg Behler, Christoph Dellago
Parallel Multistream Training of High-Dimensional Neural Network Potentials. Journal of chemical theory and computation 15 (5) (2019)
Tobias Morawietz, Andres S Urbina, Patrick K Wise, Xiangen Wu, Wanjun Lu, Dor Ben-Amotz, Thomas E Markland
Hiding in the Crowd: Spectral Signatures of Overcoordinated Hydrogen-Bond Environments. The journal of physical chemistry letters 10 (20) (2019)
Tobias Morawietz, Ondrej Marsalek, Shannon R Pattenaude, Louis M Streacker, Dor Ben-Amotz, Thomas E Markland
The Interplay of Structure and Dynamics in the Raman Spectrum of Liquid Water over the Full Frequency and Temperature Range. The journal of physical chemistry letters 9 (4) (2018)