VO SLA Perovskite material studies/perla-pv.ro and VO OLAs Perovskite material studies/perla-pv.ro

Permalink:

https://documents.egi.eu/document/3761

Document #:

EGI-doc-3761-v4

Document type:

Other

Submitted by:

Marta Gutierrez David

Updated by:

Marta Gutierrez David

Document Created:

06 Jul 2021, 15:38

Contents Revised:

09 Sep 2021, 10:36

Metadata Revised:

09 Sep 2021, 10:36

Abstract:

Molecular dynamics simulations will be run to characterize halide perovskite materials, interfaces and defects for energy efficient solar cells. LAMMPS software package (https://lammps.sandia.gov/) will be used to run these simulations .

Density functional theory (DFT) and machine learning (ML) with SIESTA code and artificial neural networks using TensorFlow library with Keras frontend will be used to predict electronic properties of hybrid perovskite materials and interfaces.

The work will be done in line with the PERLA-PV project http://perla-pv.ro

Files in Document:

• EGI VO OLA Perovskite material studies CLOUDIFIN_FINAL.pdf (294.7 kB)
• EGI VO Perovskite material studies SLA_FINAL.pdf (332.7 kB)

Topics:

• Activities:Operations
• Activities
• EGI-ACE

Authors:

• Marta Gutierrez David