Anastassia N Alexandrova

129PUBLICATIONS
269CO-AUTHORS
Context learningTransition metal chemistryTheory and design of materialsChemical and thermal processes in energy and combustionElectrical energy generation (incl. renewables, excl. photovoltaics)
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Publications (129)

|Oct 22, 2026
Quantum-Chemically Informed Representation Learning for Molecular Crystal Property Prediction via Multimodal Graph Neural Networks.

|Oct 10, 2026
Topological Chemistry of PtPb4 Surfaces under Reconstruction and Hydrogen Adsorption.

|Sep 03, 2026
Role of Bismuth Topological and Trivial Surface States in Molecular Adsorption.

|Jun 03, 2026
Modeling CO2 Hydrogenation to Methanol on an Ensemble of Inverse ZrO2 on Cu Catalytic Sites: Mechanism, Reactivity, and Deactivation.

|May 25, 2026
Cation-Limited Hydroxide Anion Diffusion Drives Asymmetric Hydrogen Kinetics on Transition-Metal Decorated Platinum Surface.

|Apr 29, 2026
What can Raman spectroscopy really say about the adsorbed CO on roughened Cu electrodes in CO2 electroreduction conditions?

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Frequent Collaborators

16 joint publications

Zisheng Zhang

14 joint publications

Philippe Sautet

10 joint publications

Robert H Lavroff

9 joint publications

Harry W T Morgan