Bjarne Kreitz

9PUBLICATIONS
40CO-AUTHORS
Theoretical quantum chemistryChemical thermodynamics and energeticsComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Radiation and matter
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Publications (9)

|May 01, 2026
Thermophysical properties of adsorbates with beyond-DFT accuracy from DFT data through error cancellation.

|Mar 17, 2025
Influence of Coverage Dependence on the Thermophysical Properties of Adsorbates and Its Impact on Microkinetic Models.

Jongyoon Bae, Bjarne Kreitz, Andrew A Peterson

|Nov 29, 2024
Unifying thermochemistry concepts in computational heterogeneous catalysis.

Bjarne Kreitz, Gabriel S Gusmão, Dingqi Nai

|Jul 28, 2023
Automated Generation of Microkinetics for Heterogeneously Catalyzed Reactions Considering Correlated Uncertainties.

Bjarne Kreitz, Patrick Lott, Felix Studt

|Jun 24, 2023
Linking Experimental and Ab Initio Thermochemistry of Adsorbates with a Generalized Thermochemical Hierarchy.

Bjarne Kreitz, Kento Abeywardane, C Franklin Goldsmith

|Nov 01, 2021
Quantifying the Impact of Parametric Uncertainty on Automatic Mechanism Generation for CO2 Hydrogenation on Ni(111).

Bjarne Kreitz, Khachik Sargsyan, Katrín Blöndal

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Frequent Collaborators

5 joint publications

C Franklin Goldsmith

3 joint publications

Steven L Tait

3 joint publications

Florian Kraushofer

3 joint publications

Andrew J Logsdail