D. Sarma

most citedExploring librational pathways with on-the-fly machine-learning force fields: Methylammonium molecules in MAPbX

_{3}

(X=I, Br, Cl) perovskites

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cond-mat.mtrl-sci2021★ 32 cited

Exploring librational pathways with on-the-fly machine-learning force fields: Methylammonium molecules in MAPbX $_{3}$ (X=I, Br, Cl) perovskites

Menno Bokdam, Jonathan Lahnsteiner, D. D. Sarma

Two seemingly similar crystal structures of the low-temperature (~100 K) MAPbX $_{3}$ (X=I,Br,Cl) perovskites, but with different relative Methylammonium (MA) ordering, have appeared…

Exploring librational pathways with on-the-fly machine-learning force fields: Methylammonium molecules in MAPbX3​ (X=I, Br, Cl) perovskites

Exploring librational pathways with on-the-fly machine-learning force fields: Methylammonium molecules in MAPbX $_{3}$ (X=I, Br, Cl) perovskites