Alexander Urban

7PUBLICATIONS
13CO-AUTHORS
Theoretical quantum chemistryContext learningNonlinear optics and spectroscopyElemental semiconductorsComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)
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Publications (7)

|Jul 16, 2025
r2SCAN+rVV10+U parameterization for 3d transition metal sulfides for thermochemistry.

Brian Donovan, Alan West, Alexander Urban

|May 28, 2024
Discovering melting temperature prediction models of inorganic solids by combining supervised and unsupervised learning.

Vahe Gharakhanyan, Luke J Wirth, Jose A Garrido Torres

|Jun 02, 2023
Simulated sulfur K-edge X-ray absorption spectroscopy database of lithium thiophosphate solid electrolytes.

Haoyue Guo, Matthew R Carbone, Chuntian Cao

|Aug 15, 2022
Artificial Intelligence-Aided Mapping of the Structure-Composition-Conductivity Relationships of Glass-Ceramic Lithium Thiophosphate Electrolytes.

Haoyue Guo, Qian Wang, Alexander Urban

|Dec 02, 2021
Augmenting zero-Kelvin quantum mechanics with machine learning for the prediction of chemical reactions at high temperatures.

Jose Antonio Garrido Torres, Vahe Gharakhanyan, Nongnuch Artrith

|Nov 07, 2020
Potential and pH Dependence of the Buried Interface of Membrane-Coated Electrocatalysts.

Jianzhou Qu, Alexander Urban

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Frequent Collaborators

2 joint publications

Jianzhou Qu

2 joint publications

Vahe Gharakhanyan

2 joint publications

Nongnuch Artrith

1 joint publications

Haoyue Guo