Murat Keçeli

8PUBLICATIONS
33CO-AUTHORS
Modelling and simulationMetal organic frameworksEmpirical software engineeringComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Radiation and matter
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Publications (8)

|Jan 07, 2026
ChemGraph as an agentic framework for computational chemistry workflows.

Thang D Pham, Aditya Tanikanti, Murat Keçeli

|Aug 29, 2025
Photochemical CO2 Reduction by a Postsynthetically Modified Zr-MOF.

Rosmi Reji, Juan P Vizuet, Xiaoli Yan

|May 12, 2023
PluginPlay: Enabling exascale scientific software one module at a time.

Ryan M Richard, Kristopher Keipert, Jonathan Waldrop

|Apr 26, 2023
Gaussian approximation potentials for accurate thermal properties of two-dimensional materials.

Tuğbey Kocabaş, Murat Keçeli, Álvaro Vázquez-Mayagoitia

|Jan 25, 2023
High-Accuracy Heats of Formation for Alkane Oxidation: From Small to Large via the Automated CBH-ANL Method.

Sarah N Elliott, Murat Keçeli, Manik K Ghosh

|Oct 01, 2022
Prediction of correlation energies using variational subspace valence bond.

Graham D Fletcher, Colleen Bertoni, Murat Keceli

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Frequent Collaborators

2 joint publications

Graham D Fletcher

1 joint publications

Michael J D'Mello

1 joint publications

Sarah N Elliott

1 joint publications

Manik K Ghosh