Stefan Goedecker

9PUBLICATIONS
22CO-AUTHORS
Computational chemistryCondensed matter modelling and density functional theoryTheoretical quantum chemistryStructural properties of condensed matterMetal cluster chemistry
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Publications (9)

|Oct 20, 2026
runner 2.0: A software suite for high-dimensional neural network potentials.

|Oct 07, 2026
Quantifying entropic stabilization of the structurally tolerant ionic phase of lithium alanate.

|Sep 08, 2026
A synthetic pseudopotential benchmark for testing production pseudopotentials and constructing pseudopotentials with chemical accuracy.

|Jun 01, 2026
Planar structures of medium-sized gold clusters become ground states upon ionization.

|May 21, 2026
The transformation mechanisms among cuboctahedra, Ino's decahedra and icosahedra structures of magic-size gold nanoclusters.

|Mar 03, 2025
Accuracy of charge densities in electronic structure calculations.

Moritz Gubler, Moritz R Schäfer, Jörg Behler

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Frequent Collaborators

3 joint publications

Jonas A Finkler

3 joint publications

Moritz Gubler

2 joint publications

Moritz R Schäfer

2 joint publications

Jörg Behler