Johannes C. B. Dietschreit

According to our database, Johannes C. B. Dietschreit authored at least 6 papers between 2023 and 2026.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2026

Reweighting free energy profiles between universal machine learning interatomic potentials for fast consensus building.

Sauradeep Majumdar, Miguel Steiner, Johannes C. B. Dietschreit, Swagata Roy, Daniel Willimetz, Lukás Grajciar, Rafael Gómez-Bombarelli

CoRR, May, 2026

2025

Excited-state nonadiabatic dynamics in explicit solvent using machine learned interatomic potentials.

Maximilian X. Tiefenbacher, Brigitta Bachmair, Cheng Giuseppe Chen, Julia Westermayr, Philipp Marquetand, Johannes C. B. Dietschreit, Leticia González

CoRR, January, 2025

2024

Enhanced sampling of robust molecular datasets with uncertainty-based collective variables.

Aik Rui Tan, Johannes C. B. Dietschreit, Rafael Gómez-Bombarelli

CoRR, 2024

Learning Collective Variables for Protein Folding with Labeled Data Augmentation through Geodesic Interpolation.

Soojung Yang, Juno Nam, Johannes C. B. Dietschreit, Rafael Gómez-Bombarelli

CoRR, 2024

2023

Single-model uncertainty quantification in neural network potentials does not consistently outperform model ensembles.

Aik Rui Tan, Shingo Urata, Samuel Goldman, Johannes C. B. Dietschreit, Rafael Gómez-Bombarelli

CoRR, 2023

Differentiable Simulations for Enhanced Sampling of Rare Events.

Martin Sípka, Johannes C. B. Dietschreit, Lukás Grajciar, Rafael Gómez-Bombarelli

Proceedings of the International Conference on Machine Learning, 2023