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Simon Müller

Research Associate

Hamburg University of Technology

Germany

Research Interests

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Professors in Germany Professors in Organic Chemistry Organic Chemistry professors in Germany

Articles (20)

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2027

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2026

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2024

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2024

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2024

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2023

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2023

Collaborators (20)

André Bardow

Professor

ETH Zürich

SWITZERLAND

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Daniela Ubiali

University of Pavia

ITALY

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Kai Leonhard

RWTH Aachen University

GERMANY

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Walter G. Chapman

W.W. Akers Chair Professor

Rice University

UNITED STATES

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Wei Yan

Technical University of Denmark

DENMARK

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Hugo Marques

Instituto Superior Técnico

PORTUGAL

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Emad Al-lbrahim

Massachusetts Institute of Technology

UNITED STATES

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Kaj Thomsen

Technical University of Denmark

DENMARK

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patrice paricaud

Professeur

École Nationale Supérieure de Techniques Avancées

FRANCE

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William Green

Hoyt C Hottel Professor

Massachusetts Institute of Technology

UNITED STATES

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Timm Esper

University of Stuttgart

GERMANY

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Esther Heid

TU Wien

AUSTRIA

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Irina Smirnova

Professor

Hamburg University of Technology (TUHH)

GERMANY

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Erling Halfdan Stenby

Technical University of Denmark

DENMARK

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Thomas Nevolianis

RWTH Aachen University

GERMANY

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Pierre Walker

California Institute of Technology

UNITED STATES

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Joachim Gross

University of Stuttgart

GERMANY

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Jeroen Lauwaert

Professor at Ghent University

Ghent University

BELGIUM

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Miquel Garcia-Ratés

Max-Planck-Institut für Kohlenforschung

GERMANY

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Florence Vermeire

Assistant Professor

KU Leuven

BELGIUM

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Simon Müller

Research Interests

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Articles (20)

Extension of openCOSMO-RS into a full open-source equation of state: Implementation, parameterization, and benchmarking

A comprehensive approach to incorporating intermolecular dispersion into the openCOSMO-RS model. Part 2: Atomic polarizabilities

Importance of Conformer Diversity over Quantity in COSMO-RS-Based LLE Predictions: A Case Study

The steam barrier as a design constraint in carbon capture: Pathways to low-temperature regeneration

Fast and Accurate Prediction of Solid–Liquid Equilibria in Type V Eutectic Systems Using openCOSMO-RS

A comprehensive approach to incorporating intermolecular dispersion into the openCOSMO-RS model. Part 1. Halocarbons

Solvation Free Energies of Anions: From Curated Reference Data to Predictive Models

Predicting solvation free energies for neutral molecules in any solvent with openCOSMO-RS

Accurately Predicting Solubility Curves via a Thermodynamic Cycle, Machine Learning, and Solvent Ensembles

Thermodynamics-informed Graph Neural Networks for Phase Transition Enthalpies

Self-solvation energies: Extended open database and GNN-based prediction

How to crack a SMILES: automatic crosschecked chemical structure resolution across multiple services using MoleculeResolver

Thermodynamic modeling using Extended UNIQUAC and COSMO-RS-ES models: Case study of the cesium nitrate - water system over a large range of temperatures

Erratum: “Estimation of Solvation Quantities from Experimental Thermodynamic Data: Development of the Comprehensive CompSol Databank for Pure and Mixed Solutes” [J. Phys. Chem. Ref. Data 46, 033102 (2017)]

Towards Self-Consistent Graph Neural Networks for Predicting the Ideal Gas Heat Capacity, Enthalpy, and Entropy

Predicting the Relative Static Permittivity: a Group Contribution Method Based on Perturbation Theory

Confidence-Interval and Uncertainty-Propagation Analysis of SAFT-type Equations of State

Deep Eutectic Solvents for the Enzymatic Synthesis of Sugar Esters: A Generalizable Strategy?

Dualistic Role of Alcohol in Micelle Formation and Structure from iSAFT Based Density Functional Theory and COSMOplex

Impact of extended long-range electrostatics on the correlation of liquid-liquid equilibria in aqueous ionic liquid systems

Collaborators (20)

André Bardow

Daniela Ubiali

Kai Leonhard

Walter G. Chapman

Wei Yan

Hugo Marques

Emad Al-lbrahim

Kaj Thomsen

patrice paricaud

William Green

Timm Esper

Esther Heid

Irina Smirnova

Erling Halfdan Stenby

Thomas Nevolianis

Pierre Walker

Joachim Gross

Jeroen Lauwaert

Miquel Garcia-Ratés

Florence Vermeire

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