Jakob Gamper

10PUBLICATIONS
15CO-AUTHORS
Metal organic frameworksChemical and thermal processes in energy and combustionStructure and dynamics of materialsNonlinear optics and spectroscopyComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)
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Publications (10)

|Sep 12, 2025
Coupling causality and interpretable machine learning to reveal the reaction coordinate of C-N coupling with a supramolecular Cu-calix[8]arene catalyst.

R A Talmazan, J Gamper, I Castillo

|May 26, 2025
Parametrization of Zirconium for DFTB3/3OB: A Pathway to Study Complex Zr-Compounds for Biomedical and Material Science Applications.

|Mar 26, 2025
Comparative Study of UMCM-9 Polymorphs: Structural, Dynamic, and Hydrogen Storage Properties via Atomistic Simulations.

Josef M Gallmetzer, Jakob Gamper, Stefanie Kröll

|Jan 15, 2025
Combined Experimental and Theoretical Approach to the Electronic and Magnetic Properties of Cu-Doped LaMnO3 Perovskites.

Josef M Gallmetzer, Felix R S Purtscher, Jakob Gamper

|Dec 19, 2024
Equipartitioning of Molecular Degrees of Freedom in MD Simulations of Gaseous Systems via an Advanced Thermostatization Strategy.

Jakob Gamper, Josef M Gallmetzer, Risnita Vicky Listyarini

|Apr 24, 2024
Modelling bulk and surface characteristics of cubic CeO2, Gd2O3, and gadolinium-doped ceria using a partial charge framework.

Josef M Gallmetzer, Jakob Gamper, Felix R S Purtscher

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Frequent Collaborators

10 joint publications

Thomas S Hofer

4 joint publications

Felix R S Purtscher

4 joint publications

Josef M Gallmetzer

1 joint publications

R A Talmazan