MaxwellLink¶
MaxwellLink provides a flexible and general platform for self-consistent light-matter simulations. It couples various electromagnetics (EM) solvers, such as finite-difference time-domain (FDTD) approach, with a hierarchy of quantum and molecular dynamics packages. The light and matter solvers can run either within the same process or in separate computing nodes communicating through a TCP/Unix socket interface, thus enabling productive light-matter simulations at different scales and levels of theory.
Use this documentation to install the MaxwellLink package, run your first self-consistent light-matter simulation, and explore the available EM solvers and molecular drivers. For developers, the Architecture and Contributing sections provide an overview of the code structure, design principles, and how to extend the framework with custom solvers.
MaxwellLink now also supports Agent Skills — with simple natural language inputs, users can easily create the input files and run jobs in both local machines and HPC systems.
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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. arXiv:2512.06173 (2025).