Wassja Kopp

RWTH Aachen University

Germany

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Articles (11)

Year:

2024

Year:

2023

Year:

2023

Year:

2023

Year:

2023

Year:

2023

Year:

2023

Year:

2023

Year:

2023

Year:

2023

Year:

2022

Collaborators (7)

Kai Leonhard

RWTH Aachen University

GERMANY

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Maxim Papusha

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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Hans-Jürgen Koß

RWTH Aachen University

GERMANY

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Lukas Krep

RWTH Aachen University

GERMANY

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Wassja Kopp

Research Interests

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Articles (11)

Efficient Generation of Torsional Energy Profiles by Multifidelity Gaussian Processes for Hindered Rotor Corrections

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

Automatic Potential Energy Surface Exploration by Accelerated Reactive Molecular Dynamics Simulations: From Pyrolysis to Oxidation Chemistry

Thermal decomposition of 1-ethyl-3-methylimidazolium acetate

DISSOLVE: Database of ionic solutes’ solvation free energies

Completely Computational Model Setup for Spectroscopic Techniques: The <i>Ab Initio</i> Molecular Dynamics Indirect Hard Modeling Approach

Collaborators (7)

Kai Leonhard

Maxim Papusha

Malte Döntgen

Toon Verstraelen

Thomas Nevolianis

Hans-Jürgen Koß

Lukas Krep

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