Thomas Specht

6PUBLICATIONS
11CO-AUTHORS
Computational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Computational chemistryStatistical mechanics in chemistryDeep learningAnalytical spectrometry
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Publications (6)

|Apr 14, 2026
Thermodynamically consistent machine learning model for excess Gibbs energy.

Marco Hoffmann, Thomas Specht, Quirin Göttl

|Apr 02, 2026
CHAOS - A Large-scale Database for σ-Profiles and Other Molecular Descriptors.

Dominik Gond, Justus Arweiler, Thomas Specht

|Mar 19, 2025
Similarity-Informed Matrix Completion Method for Predicting Activity Coefficients.

Nicolas Hayer, Thomas Specht, Justus Arweiler

|Nov 21, 2024
HANNA: hard-constraint neural network for consistent activity coefficient prediction.

Thomas Specht, Mayank Nagda, Sophie Fellenz

|Jul 29, 2023
Automated nuclear magnetic resonance fingerprinting of mixtures.

Thomas Specht, Justus Arweiler, Johannes Stüber

|Mar 29, 2023
Rational method for defining and quantifying pseudo-components based on NMR spectroscopy.

Thomas Specht, Kerstin Münnemann, Hans Hasse

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Frequent Collaborators

6 joint publications

Fabian Jirasek

4 joint publications

Hans Hasse

3 joint publications

Justus Arweiler

2 joint publications

Stephan Mandt