Albert P Bartók

8PUBLICATIONS
15CO-AUTHORS
Theoretical quantum chemistryMetals and alloy materialsRadiation and matterChemical and thermal processes in energy and combustionNumerical solution of differential and integral equations
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Publications (8)

|May 07, 2026
Vibrational infrared and Raman spectra of the methanol molecule with equivariant neural-network property surfaces.

|Dec 05, 2025
Multi-phase dataset for bulk Ti and the Ti-6Al-4V alloy.

Connor S Allen, Albert P Bartók

|Sep 18, 2024
Accurate predictions of chemical shifts with the rSCAN and r2SCAN mGGA exchange-correlation functionals.

Jonathan R Yates, Albert P Bartók

|May 15, 2024
Experiment-Driven Atomistic Materials Modeling: A Case Study Combining X-Ray Photoelectron Spectroscopy and Machine Learning Potentials to Infer the Structure of Oxygen-Rich Amorphous Carbon.

Tigany Zarrouk, Rina Ibragimova, Albert P Bartók

|Nov 06, 2023
Gaussian approximation potentials: Theory, software implementation and application examples.

Sascha Klawohn, James P Darby, James R Kermode

|Nov 08, 2022
Comment on "Manifolds of quasi-constant SOAP and ACSF fingerprints and the resulting failure to machine learn four-body interactions" [J. Chem. Phys. 156, 034302 (2022)].

Sergey N Pozdnyakov, Michael J Willatt, Albert P Bartók

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Frequent Collaborators

3 joint publications

Gábor Csányi

2 joint publications

James R Kermode

2 joint publications

Michele Ceriotti

2 joint publications

Miguel A Caro