M. Bokdam

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20112026

most citedPhase transitions of hybrid perovskites simulated by machine-learning force fields trained on-the-fly with Bayesian inference

646 citations · 1.7k across the 20 of their papers we have counts for

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cond-mat.mtrl-sci2023★ 13 cited

Phase transitions of LaMnO $_{3}$ and SrRuO $_{3}$ from DFT + U based machine learning force fields simulations

Thies Jansen, Geert Brocks, Menno Bokdam

Perovskite oxides are known to exhibit many magnetic, electronic and structural phases as function of doping and temperature. These materials are theoretically frequently investiga…

cond-mat.mtrl-sci2023

Dynamic Distortions of Quasi-2D Ruddlesden-Popper Perovskites at Elevated Temperatures: Influence on Thermal and Electronic Properties

Raisa-Ioana Biega, Menno Bokdam, Kai Herrmann +5

Ruddlesden-Popper hybrid halide perovskite are quasi-two-dimensional materials with a layered structure and structural dynamics that are determined by the interplay between the org…

Phase transitions of LaMnO3​ and SrRuO3​ from DFT + U based machine learning force fields simulations

Dynamic Distortions of Quasi-2D Ruddlesden-Popper Perovskites at Elevated Temperatures: Influence on Thermal and Electronic Properties

Phase transitions of LaMnO $_{3}$ and SrRuO $_{3}$ from DFT + U based machine learning force fields simulations