Gabriele Raabe

7PUBLICATIONS
8CO-AUTHORS
Multiphysics flows (incl. multiphase and reacting flows)Chemical and thermal processes in energy and combustionComputational chemistryChemical thermodynamics and energeticsTransport properties and non-equilibrium processes
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Publications (7)

|Feb 23, 2026
Developing Interface Force Fields for Water and Oxygen on Pt, and Pt 3 Ni, Pt 3 Co Alloy Surfaces for Proton-Exchange Membrane Fuel Cell (PEMFC) Applications.

Aditya S Kale, Gabriele Raabe

|Feb 11, 2026
Efficient Lignin Dissolution and Enzymatic Depolymerization in Ethylene Glycol-Based Deep Eutectic Solvent Mixtures: Integrated Experimental and Molecular Dynamics Study.

Julian Schilke, Miriam Sprick, Eduardo Schneider

|Jan 08, 2024
Prediction of toluene/water partition coefficients of SAMPL9 compounds: comparison of the molecular dynamics force fields GAFF/RESP and GAFF/IPolQ-Mod + LJ-fit.

Miriam Sprick, Gabriele Raabe

|Jul 25, 2023
Molecular dynamics studies of the solubility behavior of carbon dioxide (CO2 ), difluoromethane (R-32), 1-chloro-3,3,3-trifluoropropene (R-1233zd(E)) and 2,3,3,3-tetrafluoro-1-propene (R-1234yf) in pentaerythritol tetra(2-ethylhexanoate) (PEB8), pentaerythritol tetrabutyrate (PEC4) and pentaerythritol tetraoctanoate (PEC8).

Jan Bode, Gabriele Raabe

|Nov 07, 2022
Insight into the Interaction of Furfural with Metallic Surfaces in the Electrochemical Hydrogenation Process.

Thorben Lenk, Sahar Rabet, Miriam Sprick

|Nov 03, 2020
Genetic Parameterization of Interfacial Force Fields Based on Classical Bulk Force Fields and Ab Initio Data: Application to the Methanol-ZnO Interfaces.

Gerardo Valadez Huerta, Gabriele Raabe

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Frequent Collaborators

1 joint publications

Andreas Mecklenfeld

1 joint publications

Gerardo Valadez Huerta

1 joint publications

Thorben Lenk

1 joint publications

Sahar Rabet