15 citations · 15 across the 3 of their papers we have counts for
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Dyna-Mat: End-to-end benchmarking of foundation machine learning interatomic potentials in finite-temperature ensembles
Mikołaj J. Gawkowski, Nongnuch Artrith, Silvia Bonfanti +14
Foundation machine learning interatomic potentials (MLIPs) are increasingly being used as drop-in replacements for first-principles calculations, enabling simulations of materials…
Fluctuation-driven multi-step charge density wave melting in monolayer TiSe
Luka Benić, Dino Novko, Ivor Lončarić
The exact microscopic origin, symmetry, and thermal melting mechanism of the charge density wave (CDW) phase in TiSe remain intensely debated, particularly regarding chiral str…
Electron correlations rule the phonon-driven instability in single layer TiSe
Dino Novko, Zahra Torbatian, Ivor Lončarić
We investigate the controversial case of charge-density-wave (CDW) order in single layer 1T-TiSe by employing the density functional perturbation theory with on-site Hubbard in…