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cond-mat.mtrl-sci2025
Efficient local atomic cluster expansion for BaTiO close to equilibrium
Anna Grünebohm, Matous Mrovec, Maxim N. Popov +4
Barium titanate (BTO) is a representative perovskite oxide that undergoes three first-order ferroelectric phase transitions related to exceptional functional properties. In this wo…
cond-mat.mtrl-sci2025★ 1 cited
Nanoindentation simulations for copper and tungsten with adaptive-precision potentials
David Immel, Matous Mrovec, Ralf Drautz +1
We perform nanoindentation simulations for both the prototypical face-centered cubic metal copper and the body-centered cubic metal tungsten with a new adaptive-precision descripti…