Dimensionality reduction in machine learning for nonadiabatic molecular dynamics: Effectiveness of elemental sublattices in lead halide perovskites

Dimensionality reduction in machine learning for nonadiabatic molecular dynamics: Effectiveness of elemental sublattices in lead halide perovskites

Supervised machine learning (ML) and unsupervised ML have been performed on descriptors generated from nonadiabatic (NA) molecular dynamics (MD) trajectories representing non-radiative charge recombination in CsPbI3, a promising solar cell and optoelectronic material. Descriptors generated from ever...

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Bibliographic Details
Main Authors: How, Wei Bin, Wang, Bipeng, Chu, Weibin, Kovalenko, Sergiy M., Tkatchenko, Alexandre, Prezhdo, Oleg V.
Other Authors: School of Physical and Mathematical Sciences
Format: Journal Article
Language:English
Published: 2022
Subjects:
Science::Chemistry
Lead Compounds
Optoelectronic Eevices
Online Access:https://hdl.handle.net/10356/161252

Internet

https://hdl.handle.net/10356/161252

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