Wassja Kopp

10PUBLICATIONS
42CO-AUTHORS
Structure and dynamics of materialsComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Chemical and thermal processes in energy and combustionComputational chemistryNon-Newtonian fluid flows (incl. rheology)
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Publications (10)

|Dec 15, 2025
Reaction Discovery in Porous Materials Using Periodic Nanoreactor Molecular Dynamics.

Daniel Deißenbeck, Patrick Meier, Wassja A Kopp

|Aug 20, 2024
Efficient Generation of Torsional Energy Profiles by Multifidelity Gaussian Processes for Hindered Rotor Corrections.

Maximilian Fleck, Wassja A Kopp, Narasimhan Viswanathan

|Dec 07, 2023
Automatic Potential Energy Surface Exploration by Accelerated Reactive Molecular Dynamics Simulations: From Pyrolysis to Oxidation Chemistry.

Wassja A Kopp, Can Huang, Yuqing Zhao

|Aug 23, 2023
The first HyDRA challenge for computational vibrational spectroscopy.

Taija L Fischer, Margarethe Bödecker, Sophie M Schweer

|Apr 05, 2023
Improved modeling of anharmonicity for furan microsolvation.

Wassja A Kopp, Matthias L Mödden, Narasimhan Viswanathan

|Apr 03, 2023
A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part II: A ChemTraYzer Study of Chlorinated Dibenzofuran Formation and Decomposition Processes.

Lukas Krep, Felix Schmalz, Florian Solbach

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Frequent Collaborators

9 joint publications

Kai Leonhard

4 joint publications

Felix Schmalz

3 joint publications

Lukas Krep

3 joint publications

Leonid Komissarov