Kersti Hermansson

17PUBLICATIONS
112CO-AUTHORS
Semi- and unsupervised learningMolecular imaging (incl. electron microscopy and neutron diffraction)Condensed matter modelling and density functional theoryComputational chemistryElectronic and magnetic properties of condensed matter; superconductivity
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Publications (17)

|Mar 31, 2026
Limitations of Cluster-Trained MLIPs for Liquid Density and Diffusivity.

Viktor Svahn, Ioan-Bogdan Magdău, Samuel P Niblett

|Mar 16, 2026
Atomic-Scale Mapping of Interfacial Water on Oxide Surfaces via Proton-Resolved NMR and Ab Initio Simulations.

Lorenzo Agosta, Ken Conover, Przemyslaw Rzepka

|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

|Sep 19, 2025
7Li NMR Chemical Shifts in Battery-Relevant Electrolytes: Ligand-Induced Shifts Cancel in Both Experiment and Calculation.

Daniel Sethio, Philippe Bopp, Kersti Hermansson

|Aug 29, 2025
Water under hydrophobic confinement: entropy and diffusion.

Lorenzo Agosta, Yong Wang, Kersti Hermansson

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Frequent Collaborators

7 joint publications

Jolla Kullgren

6 joint publications

Lorenzo Agosta

2 joint publications

Pavlin D Mitev

2 joint publications

Samuel P Niblett