Simon Müller

5PUBLICATIONS
14CO-AUTHORS
Chemical thermodynamics and energeticsComputational chemistryTransport properties and non-equilibrium processesChemical and thermal processes in energy and combustion
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Publications (5)

|Nov 21, 2025
Accurately Predicting Solubility Curves via a Thermodynamic Cycle, Machine Learning, and Solvent Ensembles.

Emad Al Ibrahim, Nathan Morgan, Simon Müller

|Aug 14, 2025
Solvation Free Energies of Anions: From Curated Reference Data to Predictive Models.

Thomas Nevolianis, Jonathan W Zheng, Simon Müller

|Apr 03, 2021
Physicochemical Characterization and Simulation of the Solid-Liquid Equilibrium Phase Diagram of Terpene-Based Eutectic Solvent Systems.

Maha M Abdallah, Simon Müller, Andrés González de Castilla

|Jan 12, 2021
Flexible heuristic algorithm for automatic molecule fragmentation: application to the UNIFAC group contribution model.

Simon Müller

|Apr 28, 2020
Prediction of Solvation Free Energies of Ionic Solutes in Neutral Solvents.

Leif C Kröger, Simon Müller, Irina Smirnova

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Frequent Collaborators

2 joint publications

Irina Smirnova

2 joint publications

Kai Leonhard

2 joint publications

William H Green

1 joint publications

Leif C Kröger