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Analyzed about 13 hours ago. based on code collected 1 day ago.

Project Summary

Charge carrier dynamics in an organic semiconductor can often be described in terms of charge hopping between localized states. The hopping rates depend on electronic coupling elements, reorganization energies, and driving forces, which vary as a function of position and orientation of the molecules. The exact evaluation of these contributions in a molecular assembly is computationally prohibitive. Various, often semi-empirical, approximations are employed instead. The purpose of the toolkit is to simplify the workflow for charge transport simulations, provide a uniform error-control for the methods, flexible platform for their development, and eventually allow in silico pre-screening of organic semiconductors for specific applications.

Tags

gromacs science

In a Nutshell, votca-ctp...

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These details are provided for information only. No information here is legal advice and should not be used as such.

Project Security

Vulnerabilities per Version ( last 10 releases )

There are no reported vulnerabilities

Project Vulnerability Report

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Vulnerability Exposure Index

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About Project Security

Languages

XML
75%
Python
22%
2 Other
3%

30 Day Summary

Mar 16 2024 — Apr 15 2024

12 Month Summary

Apr 15 2023 — Apr 15 2024