Johannes C. B. Dietschreit

Publication Activity (10 Years)

Years Active: 2023-2024
Publications (10 Years): 5

Top Topics

Sampling Methods

Top Venues

Publications

Soojung Yang, Juno Nam, Johannes C. B. Dietschreit, Rafael Gómez-Bombarelli
Learning Collective Variables for Protein Folding with Labeled Data Augmentation through Geodesic Interpolation. CoRR (2024)
Aik Rui Tan, Johannes C. B. Dietschreit, Rafael Gómez-Bombarelli
Enhanced sampling of robust molecular datasets with uncertainty-based collective variables. CoRR (2024)
Martin Sípka, Johannes C. B. Dietschreit, Rafael Gómez-Bombarelli
Differentiable Simulations for Enhanced Sampling of Rare Events. CoRR (2023)
Aik Rui Tan, Shingo Urata, Samuel Goldman, Johannes C. B. Dietschreit, Rafael Gómez-Bombarelli
Single-model uncertainty quantification in neural network potentials does not consistently outperform model ensembles. CoRR (2023)
Martin Sípka, Johannes C. B. Dietschreit, Lukás Grajciar, Rafael Gómez-Bombarelli
Differentiable Simulations for Enhanced Sampling of Rare Events. ICML (2023)