Python Cyclic Voltammetry Simulator based on MECSim
-
Updated
May 24, 2021 - Jupyter Notebook
Python Cyclic Voltammetry Simulator based on MECSim
CDFT Development Branch for CP2K
Feature additions to CP2K-6.1
This code package simulates the time evolution of a multi-site electron transfer chain, with quantum yield, energy efficiency, and rate matrices as key outputs. The simulation models the rates and population dynamics of multi-step hopping with inter-cofactor separations and driving forces (ΔG) as input parameters.
Add a description, image, and links to the electron-transfer topic page so that developers can more easily learn about it.
To associate your repository with the electron-transfer topic, visit your repo's landing page and select "manage topics."