Skip to content

Latest commit

 

History

History
8 lines (7 loc) · 519 Bytes

README.md

File metadata and controls

8 lines (7 loc) · 519 Bytes

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.