Skip to content

Beratan-Lab-Duke/partial-summation

Repository files navigation

Calculating Multi-Donor Multi-Acceptor Electron/Energy Transfer Rates

Overview

This tool is designed for the calculation of electron or energy transfer rates between multiple donors and multiple acceptors, aiding researchers in photochemistry, molecular electronics, and more to model and understand molecular interactions.

Features

  • Handles configurations with multiple donors and acceptors.
  • Utilizes path integral expansion for rate calculations
  • Allows for easy integration of new computational models.

About

No description, website, or topics provided.

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published

Languages