Publications by authors named "G Csanyi"

Claim this Profile
H
How accurate are DFT forces? Unexpectedly large uncertainties in molecular datasets.
Domantas Kuryla, Fabian Berger, Gábor Csányi, Angelos Michaelides

J Chem Phys· December 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
Towards Routine Condensed Phase Simulations with Delta-Learned Coupled Cluster Accuracy: Application to Liquid Water.
Niamh O'Neill, Benjamin X Shi, William J Baldwin, William C Witt, Gábor Csányi

J Chem Theory Comput· November 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
A foundation model for atomistic materials chemistry.
Ilyes Batatia, Philipp Benner, Yuan Chiang, Alin M Elena, Dávid P Kovács

J Chem Phys· November 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
Z
Zero shot molecular generation via similarity kernels.
Rokas Elijošius, Fabian Zills, Ilyes Batatia, Sam Walton Norwood, Dávid Péter Kovács

Nat Commun· July 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
Transferability of Data Sets between Machine-Learned Interatomic Potential Algorithms.
Samuel P Niblett, Panagiotis Kourtis, Ioan-Bogdan Magdău, Clare P Grey, Gábor Csányi

J Chem Theory Comput· June 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis