Gábor Csányi

42PUBLICATIONS
161CO-AUTHORS
Electrical energy generation (incl. renewables, excl. photovoltaics)NanoelectronicsChemical and thermal processes in energy and combustionSemi- and unsupervised learningTheoretical quantum chemistry
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Publications (42)

|Jun 20, 2026
Integrating Charge Equilibration with Equivariant Machine-Learning Interatomic Potentials.

|May 26, 2026
Bottom-up synthesis of molecular nanodiamond from nanographene.

|May 20, 2026
Accelerated Reaction Exploration across Scales: A Hybrid Operando and Modeling Study of Oxidation Kinetics in Monolayer Tungsten Disulfide.

|Mar 31, 2026
Limitations of Cluster-Trained MLIPs for Liquid Density and Diffusivity.

Viktor Svahn, Ioan-Bogdan Magdău, Samuel P Niblett

|Jan 27, 2026
Computing Solvation Free Energies of Small Molecules with Experimental Accuracy.

J Harry Moore, Daniel J Cole, Gábor Csányi

|Dec 10, 2025
How accurate are DFT forces? Unexpectedly large uncertainties in molecular datasets.

Domantas Kuryla, Fabian Berger, Gábor Csányi

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Frequent Collaborators

6 joint publications

Michele Ceriotti

6 joint publications

Dávid Péter Kovács

6 joint publications

Johannes T Margraf

5 joint publications

Angelos Michaelides