MaxwellLink

MaxwellLink provides a flexible and general platform for self-consistent light-matter simulations. It connects various electromagnetic (EM) solvers, such as the finite-difference time-domain (FDTD) approach, to a range of quantum and molecular dynamics packages. The light and matter solvers can run either within the same process or on separate computing nodes communicating through a TCP/Unix socket interface, enabling self-consistent light-matter simulations at different scales and levels of theory.

Use this documentation to install the MaxwellLink package, and run sophisticated self-consistent light-matter simulations. For developers, the Architecture and Contributing sections provide an overview of the code structure and how to extend the framework with custom solvers, respectively.

MaxwellLink now also supports Agent Skills: With simple natural language inputs, users can easily create input files and run jobs on both local machines and HPC systems.

Get Started

• Introduction
• Installation
• Usage Guide
• Exascale simulations
• Agent Skills

Tutorials

• Tutorials

Learn More

• Architecture
• EM Solvers
• Drivers
• Contributing

Reference

• API reference

Citation

If you use MaxwellLink in your research, please cite:

Reference

X Ji †, AF Bocanegra Vargas †, G Meng, and TE Li. MaxwellLink: A Unified Framework for Self-Consistent Light-Matter Simulations. J. Chem. Theory Comput. 22, 2725–2738 (2026).