J. Kloppenburg

All-electron ab initio Bethe-Salpeter equation approach to neutral excitations in molecules with numeric atom-centered orbitals.

H. Appel, X. Ren, V. Blum, 2019, The Journal of chemical physics.

Sr3CrN3: A New Electride with a Partially Filled d-Shell Transition Metal.

G. Hautier, Y. Filinchuk, Lee A. Burton, 2019, Journal of the American Chemical Society.

Influence of Surface Adsorption on the Oxygen Evolution Reaction on IrO2(110).

Geoffroy Hautier, Jin Suntivich, Darrell G. Schlom, 2017, Journal of the American Chemical Society.

A general-purpose machine learning Pt interatomic potential for an accurate description of bulk, surfaces and nanoparticles

M. Caro, J. Kloppenburg, Hannes J'onsson, 2023, 2301.11639.

Measurements of Oxygen Electroadsorption Energies and Oxygen Evolution Reaction on RuO2(110): A Discussion of the Sabatier Principle and Its Role in Electrocatalysis.

G. Hautier, D. Schlom, Jin Suntivich, 2018, Journal of the American Chemical Society.

Amorphization mechanism of SrIrO3 electrocatalyst: How oxygen redox initiates ionic diffusion and structural reorganization

G. Rignanese, G. Hautier, Hua Zhou, 2021, Science Advances.

In fl uence of Surface Adsorption on the Oxygen Evolution Reaction on IrO 2 ( 110 )

J. Nelson, D. Schlom, Jin Suntivich, 2017 .

A general-purpose machine learning Pt interatomic potential for an accurate description of bulk, surfaces, and nanoparticles.

M. Caro, L. Pártay, J. Kloppenburg, 2023, The Journal of chemical physics.

Reassignment of magic numbers for icosahedral Au clusters: 310, 564, 928 and 1426.

K. Laasonen, M. Caro, A. Pedersen, 2022, Nanoscale.