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Domantas Kuryla

Showing results (1-10 of 3) with videos related to

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The Journal of Chemical Physics|December 10, 2025
How accurate are DFT forces? Unexpectedly large uncertainties in molecular datasetsDomantas Kuryla, Fabian Berger, Gábor Csányi, et al.
The Journal of Chemical Physics|March 21, 2025
Efficient exploration of reaction pathways using reaction databases and active learningDomantas Kuryla, Gábor Csányi, Adri C T van Duin, et al.
The Journal of Chemical Physics|November 13, 2025
A foundation model for atomistic materials chemistryIlyes Batatia, Philipp Benner, Yuan Chiang, et al.
Pageof 1

Showing results (1-10 of 3) with videos related to

Sort By:
Pageof 1
The Journal of Chemical Physics|December 10, 2025
How accurate are DFT forces? Unexpectedly large uncertainties in molecular datasetsDomantas Kuryla, Fabian Berger, Gábor Csányi, et al.
The Journal of Chemical Physics|March 21, 2025
Efficient exploration of reaction pathways using reaction databases and active learningDomantas Kuryla, Gábor Csányi, Adri C T van Duin, et al.
The Journal of Chemical Physics|November 13, 2025
A foundation model for atomistic materials chemistryIlyes Batatia, Philipp Benner, Yuan Chiang, et al.
Pageof 1