Paul Erhart
Goeteborg, O 41296, Sweden
Last Updated: 09/26/2026
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Found 61 publications
qNEP: A Highly Efficient Neuroevolution Potential with Dynamic Charges for Large-Scale Atomistic Simulations.
Journal: Journal of chemical theory and computation
Published: April 20, 2026
Efficient method for calculation of low-temperature phase boundaries.
Journal: The Journal of chemical physics
Published: March 10, 2026
Diverse Polymorphism in Ruddlesden-Popper Chalcogenides.
Journal: Physical review letters
Published: July 16, 2025
NEP89: universal neuroevolution potential for inorganic and organic materials across 89 elements.
Journal: Nature computational science
Published: July 06, 2025
Probing Glass Formation in Perylene Derivatives via Atomic-Scale Simulations and Bayesian Regression.
Journal: The journal of physical chemistry. B
Published: June 23, 2025
Unraveling the Nature of Vibrational Dynamics in CsPbI3 by Inelastic Neutron Scattering and Molecular Dynamics Simulations.
Journal: The journal of physical chemistry letters
Published: May 08, 2025
MUMOTT: a Python package for the analysis of multi-modal tensor tomography data.
Journal: Journal of applied crystallography
Published: April 23, 2025
Correction to "Octahedral Tilt-Driven Phase Transitions in BaZrS3 Chalcogenide Perovskite".
Journal: The journal of physical chemistry letters
Published: April 23, 2025
A morphotropic phase boundary in MA1-xFAxPbI3: linking structure, dynamics, and electronic properties.
Journal: Nature communications
Published: March 12, 2025
Octahedral Tilt-Driven Phase Transitions in BaZrS3 Chalcogenide Perovskite.
Journal: The journal of physical chemistry letters
Published: February 19, 2025
Last Updated: 09/26/2026