Phase Transitions of Hybrid Perovskites Simulated by Machine-Learning Force Fields Trained on the Fly with Bayesian Inference

Ryosuke Jinnouchi; Jonathan Lahnsteiner; Ferenc Karsai; Georg Kresse; Menno Bokdam

doi:10.1103/PhysRevLett.122.225701

Phase Transitions of Hybrid Perovskites Simulated by Machine-Learning Force Fields Trained on the Fly with Bayesian Inference

Ryosuke Jinnouchi, Jonathan Lahnsteiner, Ferenc Karsai, Georg Kresse, Menno Bokdam (Korresp. Autor*in)

Computergestützte Materialphysik

Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

Originalsprache	Englisch
Aufsatznummer	225701
Seitenumfang	5
Fachzeitschrift	Physical Review Letters
Jahrgang	122
Ausgabenummer	22
DOIs	https://doi.org/10.1103/PhysRevLett.122.225701
Publikationsstatus	Veröffentlicht - 7 Juni 2019

ÖFOS 2012

103018 Materialphysik

Zugriff auf Dokument

10.1103/PhysRevLett.122.225701

Andere Dateien und Links

Dynamik in Perowskit-Photovoltaik
Bokdam, M. & Lahnsteiner, J.
1/07/17 → 30/06/20
Projekt: Forschungsförderung

Zitationsweisen

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title = "Phase Transitions of Hybrid Perovskites Simulated by Machine-Learning Force Fields Trained on the Fly with Bayesian Inference",

keywords = "TOTAL-ENERGY CALCULATIONS, CRYSTAL-STRUCTURE, ORGANIC CATIONS, POTENTIALS, DYNAMICS",

author = "Ryosuke Jinnouchi and Jonathan Lahnsteiner and Ferenc Karsai and Georg Kresse and Menno Bokdam",

note = "Publisher Copyright: {\textcopyright} 2019 American Physical Society.",

year = "2019",

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doi = "10.1103/PhysRevLett.122.225701",

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T1 - Phase Transitions of Hybrid Perovskites Simulated by Machine-Learning Force Fields Trained on the Fly with Bayesian Inference

AU - Jinnouchi, Ryosuke

AU - Lahnsteiner, Jonathan

AU - Karsai, Ferenc

AU - Kresse, Georg

AU - Bokdam, Menno

PY - 2019/6/7

Y1 - 2019/6/7

KW - TOTAL-ENERGY CALCULATIONS

KW - CRYSTAL-STRUCTURE

KW - ORGANIC CATIONS

KW - POTENTIALS

KW - DYNAMICS

UR - https://arxiv.org/abs/1903.09613

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U2 - 10.1103/PhysRevLett.122.225701

DO - 10.1103/PhysRevLett.122.225701

M3 - Article

SN - 0031-9007

VL - 122

JO - Physical Review Letters

JF - Physical Review Letters

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M1 - 225701

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Phase Transitions of Hybrid Perovskites Simulated by Machine-Learning Force Fields Trained on the Fly with Bayesian Inference

ÖFOS 2012

Zugriff auf Dokument

Andere Dateien und Links

Fingerprint

Projekte

Dynamik in Perowskit-Photovoltaik

Zitationsweisen