Jolla Kullgren

Uppsala University — Sweden

Materials Science · Physical Sciences

26h-index2.4kcitations117works7.32yr avg
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Research Topics

Catalytic Processes in Materials Science(46), Advanced Photocatalysis Techniques(15), Machine Learning in Materials Science(13), Catalysis and Oxidation Reactions(12), Electronic and Structural Properties of Oxides(12)

Publications117 total

H <sub>2</sub> over Nanoceria: Microkinetic Simulation of a TPR Experiment
The Journal of Physical Chemistry C·2025Open Access
Short-range charge ordering in Mn-doped <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msub> <mml:mi>LiFePO</mml:mi> <mml:mn>4</mml:mn> </mml:msub> </mml:math>
Physical review. B./Physical review. B·2025Open Access
A foundation model for atomistic materials chemistry
The Journal of Chemical Physics·2025· 65 citedOpen Access
Machine-learning ice spectra: from 1 to 256 features
2025Open Access
AI-assisted prediction of catalytically reactive hotspots in nanoalloys
arXiv (Cornell University)·2025Open Access
NiO-Ni2P/C3N4 heterostructures with synergistic adsorption-electrocatalysis functions for suppressing polysulfide shuttle effect in lithium sulfur batteries
Journal of Colloid and Interface Science·2025· 2 citedOpen Access
Author Correction: The dynamics of plasmon-induced hot carrier creation in colloidal gold
Nature Communications·2025· 1 citedOpen Access
The dynamics of plasmon-induced hot carrier creation in colloidal gold
Nature Communications·2025· 15 citedOpen Access
The Dynamics of Plasmon-Induced Hot Carrier Creation in Colloidal Gold
2024· 1 citedOpen Access
Impact of temperature on short-range charge ordering in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>LiFePO</mml:mi><mml:mn>4</mml:mn></mml:msub><mml:mo>/</mml:mo><mml:msub><mml:mi>FePO</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:mrow></mml:math>
Physical review. B./Physical review. B·2024· 2 citedOpen Access
Modelling interfacial ionic transport in Li<sub>2</sub>VO<sub>2</sub>F cathodes during battery operation
Energy Advances·2024· 2 citedOpen Access
Effects of partial isovalent substitution of V with (Ti,Fe) on redox reactivity in Li<sub>2</sub>VO<sub>2</sub>F battery cathodes
Journal of Materials Chemistry A·2024Open Access
A foundation model for atomistic materials chemistry
arXiv (Cornell University)·2023· 229 citedOpen Access
H2O2(s) and H2O2·2H2O(s) crystals compared with ices: DFT functional assessment and D3 analysis
The Journal of Chemical Physics·2023· 7 citedOpen Access
Water on ceria{111}: Comparison between 23 experimental vibrational studies in the literature and new modeling
The Journal of Chemical Physics·2023· 2 citedOpen Access
Water in Crystals: A Database for ML and a Knowledge Base for Vibrational Prediction
The Journal of Physical Chemistry C·2023· 1 citedOpen Access
Low-Temperature Cation Ordering in High Voltage Spinel Cathode Material
ACS Applied Energy Materials·2023· 6 citedOpen Access
Toward an efficient f-in-core/f-in-valence switchable description for DFTB calculations of Ce 4f states in ceria
The Journal of Chemical Physics·2023· 1 citedOpen Access
Predicting Frequency from the External Chemical Environment: OH Vibrations on Hydrated and Hydroxylated Surfaces
Journal of Chemical Theory and Computation·2022· 13 citedOpen Access
Fortnet, a software package for training Behler-Parrinello neural networks
Computer Physics Communications·2022· 6 citedOpen Access
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Frequent Co-authors

Kersti Hermansson(22), Peter Broqvist(16), Matthew J. Wolf(9), C. W. M. Castleton(7), Meysam Pazoki(6), Thomas Frauenheim(6), Bálint Aradi(5), Pavlin D. Mitev(5), Péter Deák(4), Tomas Edvinsson(4), Daniel Brandell(3), David Langhammer(3), Lars Österlund(3), Ageo Meier de Andrade(3), Erik M. J. Johansson(3), Zhansheng Lu(3), Zongxian Yang(3), Andreas Röckert(3), Ilyes Batatia(2), Philipp Benner(2)