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Machine learning study of surface reconstructions of the Cu2O(111) surface

Payal Wadhwa1,*,†, Michael Schmid2, and Georg Kresse1,3

  • 1Faculty of Physics and Center for Computational Materials Science, University of Vienna, Kolingasse 14-16, A-1090 Vienna, Austria
  • 2Institute of Applied Physics, TU Wien, A-1040 Vienna, Austria
  • 3VASP Software GmbH, Berggasse 21, A-1090 Vienna, Austria

  • *Contact author: payal.wadhwa@univie.ac.at; payal_wadhwa@ iiitvadodara.ac.in
  • †Present address: Indian Institute of Information Technology Vadodara, Gandhinagar-382028, Gujarat, India.

Dataset merging strategy for efficient construction of a machine-learning force field: A case of CeO2 surfaces with an oxygen vacancy

Kai Oshiro, Min Gao, and Jun-ya Hasegawa

The Journal of Chemical Physics 165 164707 (2026)

Effects of electric field and biaxial strain on the HER activity of defected and doped monolayer VSe2

Rabia Hassan and Fei Ma

Journal of Alloys and Compounds 1084 191705 (2026)

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