Kai Leonhard

RWTH Aachen University

Germany

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Articles (10)

Year:

2023

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2023

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2023

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2023

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2023

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2023

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2023

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2023

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2023

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2023

Collaborators (9)

Wassja Kopp

RWTH Aachen University

GERMANY

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Johanna Kleinekorte

RWTH Aachen University

GERMANY

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Malte Döntgen

Chief Engineer

RWTH Aachen University

GERMANY

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Toon Verstraelen

Ghent University

BELGIUM

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Thomas Nevolianis

RWTH Aachen University

GERMANY

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Artur M. Schweidtmann

Assistant Professor

Delft University of Technology

NETHERLANDS

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Alexander Mitsos

RWTH Aachen University

GERMANY

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Adel Mhamdi

Professor

Rheinisch Westfalische Technische Hochschule Aachen

GERMANY

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Lukas Krep

RWTH Aachen University

GERMANY

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Kai Leonhard

Research Interests

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Articles (10)

A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part I: Force Field Development

Influence of Oxygen Atoms and Ring Strain on the Low-Temperature Oxidation Pathways of 1,3-Dioxolane

A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part II: A ChemTraYzer Study of Chlorinated Dibenzofuran Formation and Decomposition Processes

A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part II: A ChemTraYzer Study of Chlorinated Dibenzofuran Formation and Decomposition Processes

Front Cover: A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part II: A ChemTraYzer Study of Chlorinated Dibenzofuran Formation and Decomposition Processes (ChemPhysChem 7/2023)

Improved modeling of anharmonicity for furan microsolvation

Kinetic Modeling of a Poly(N-vinylcaprolactam-co-glycidyl methacrylate) Microgel Synthesis: A Hybrid In Silico and Experimental Approach

Physical pooling functions in graph neural networks for molecular property prediction

From Molecules to Heat‐Integrated Processes: Computer‐Aided Design of Solvents and Processes Using Quantum Chemistry

Molecular Design of Fuels for Maximum Spark-Ignition Engine Efficiency by Combining Predictive Thermodynamics and Machine Learning

Collaborators (9)

Wassja Kopp

Johanna Kleinekorte

Malte Döntgen

Toon Verstraelen

Thomas Nevolianis

Artur M. Schweidtmann

Alexander Mitsos

Adel Mhamdi

Lukas Krep

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