Description
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.
Acceptable Use Policy
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This Acceptable Use Policy applies to all members of perla-pv.ro Virtual Organisation,
hereafter referred to as the perla-pv.ro, with reference to use of the EGI Infrastructure.
The [owner body] owns and gives authority to this policy.
Goal and description of the perla-pv.ro VO
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Members and Managers of the perla-pv.ro VO agree to be bound by the Acceptable Usage Rules, perla-pv.ro Security Policy and other relevant EGI Policies, and to use the Infrastructure only in the furtherance of the stated goal of the perla-pv.ro VO.