Stephan Thaler

Orcid: 0000-0001-5383-1615

According to our database¹, Stephan Thaler authored at least 10 papers between 2019 and 2026.

Collaborative distances:

Dijkstra number² of four.
Erdős number³ of four.

Timeline

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Book In proceedings Article PhD thesis Dataset Other

Links

On csauthors.net:

Bibliography

2026

TerraBind: Fast and Accurate Binding Affinity Prediction through Coarse Structural Representations.

[BibT_eX]

[DOI]

CoRR, February, 2026

2025

chemtrain-deploy: A parallel and scalable framework for machine learning potentials in million-atom MD simulations.

[BibT_eX]

[DOI]

CoRR, June, 2025

chemtrain: Learning deep potential models via automatic differentiation and statistical physics.

[BibT_eX]

[DOI]

Comput. Phys. Commun., 2025

2024

JaxSGMC: Modular stochastic gradient MCMC in JAX.

[BibT_eX]

[DOI]

SoftwareX, 2024

Implicit Delta Learning of High Fidelity Neural Network Potentials.

[BibT_eX]

[DOI]

CoRR, 2024

OpenQDC: Open Quantum Data Commons.

[BibT_eX]

[DOI]

CoRR, 2024

ET-Flow: Equivariant Flow-Matching for Molecular Conformer Generation.

[BibT_eX]

[DOI]

Proceedings of the Advances in Neural Information Processing Systems 38: Annual Conference on Neural Information Processing Systems 2024, 2024

2022

Scalable Bayesian Uncertainty Quantification for Neural Network Potentials: Promise and Pitfalls.

[BibT_eX]

[DOI]

Stephan Thaler

Gregor Doehner

Julija Zavadlav

CoRR, 2022

2021

Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting.

[BibT_eX]

[DOI]

Stephan Thaler

Julija Zavadlav

CoRR, 2021

2019

Sparse identification of truncation errors.

[BibT_eX]

[DOI]

Stephan Thaler

Ludger Paehler

Nikolaus A. Adams

J. Comput. Phys., 2019

Stephan Thaler

Timeline

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Links

On csauthors.net:

Bibliography

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