Published June 8, 2026 | Version v1
Dataset Open

Hydride formation and phase separation in palladium nanoparticles from a transferable atomic cluster expansion potential

Authors/Creators

  • 1. ROR icon Ruhr University Bochum
  • 2. University of Limerick
  • 3. ROR icon Chalmers University of Technology
  • 4. Ruhr-Universität Bochum

Description

The Atomic Cluster Expansion (ACE) potentials for the Pd-H system and their corresponding training and test- datasets.

Files

lammps_demo.zip

Files (105.6 MB)

Name Size
md5:364c429c958ded8d3d03e5a5b5bf3eab
3.8 MB Preview Download
md5:0308b4e0ed87805975d37eaeaacf976a
101.8 MB Preview Download

Additional details

Dates

Available
2026-08-08