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Jolla Kullgren

15PUBLICATIONS
120CO-AUTHORS
Semi- and unsupervised learningCondensed matter modelling and density functional theoryComputational chemistryCrystallographyTheoretical quantum chemistry
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Journal

Publications (15)

Sort by Publication Date:
|Mar 31, 2026
Limitations of Cluster-Trained MLIPs for Liquid Density and Diffusivity.

Viktor Svahn, Ioan-Bogdan Magdău, Samuel P Niblett

|Feb 04, 2026
Machine-Learning Ice Spectra: From 1 to 256 Features.

Shokirbek Shermukhamedov, Jolla Kullgren, Daniel Sethio

|Nov 13, 2025
A foundation model for atomistic materials chemistry.

Ilyes Batatia, Philipp Benner, Yuan Chiang

|Nov 15, 2023
H2O2(s) and H2O2·2H2O(s) crystals compared with ices: DFT functional assessment and D3 analysis.

Daniel J Arismendi-Arrieta, Anik Sen, Anders Eriksson

|Jul 25, 2023
Water on ceria{111}: Comparison between 23 experimental vibrational studies in the literature and new modeling.

Andreas Röckert, Jolla Kullgren, Daniel Sethio

|Feb 08, 2023
Toward an efficient f-in-core/f-in-valence switchable description for DFTB calculations of Ce 4f states in ceria.

Bojana Kocmaruk, Akshay Krishna Ammothum Kandy, Kersti Hermansson

Pageof 3

Frequent Collaborators

7 joint publications

Kersti Hermansson

5 joint publications

Peter Broqvist

2 joint publications

Meysam Pazoki

2 joint publications

Samuel P Niblett

2 joint publications

Gábor Csányi

2 joint publications

Andreas Röckert

2 joint publications

Viktor Svahn

2 joint publications

Ioan-Bogdan Magdău

2 joint publications

Akshay Krishna Ammothum Kandy

1 joint publications

Daniel Sethio

Frequent Collaborators

7 joint publications

Kersti Hermansson

5 joint publications

Peter Broqvist

2 joint publications

Meysam Pazoki

2 joint publications

Samuel P Niblett

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