Open-Source Ecosystem

Research Software

Software developed and supported by the Foley Lab for computational chemistry, cavity QED, nanophotonics, and scientific education.

The Foley Lab develops and contributes to open research software for light-matter theory, quantum chemistry, nanophotonics, and computational science education.

This page highlights maintained lab projects alongside community software ecosystems where the group contributes methods, examples, and training materials.

Software Focus

Reusable tools for computational science

Project cards are collection-backed so the lab can add repositories, documentation links, package metadata, and logos as the software portfolio grows.

Lab-Maintained Packages

Core Lab Software

wptherml

A Python package for modeling electromagnetic response, thermal radiation, and optimization of multilayer nanophotonic structures.

  • Python
  • Nanophotonics
  • Thermal radiation

qed-ci

An open-source package to simulate strongly correlated molecules coupled to quantized cavity modes using active space methods.

  • Open source
  • Cavity QED
  • Active spaces

cqed-scf

An open-source package for mean-field and DFT-based molecular cavity quantum electrodynamics calculations (Pauli-Fierz Hamiltonian) with analytic nuclear gradients, molecular dynamics, and geometry optimization, built on top of Psi4.

  • Open source
  • Psi4
  • Molecular CQED

Broader Ecosystem

Community Contributions

Psi4NumPy

The overall goal of the Psi4NumPy project is to provide an interactive quantum chemistry framework for reference implementations, rapid prototyping, development, and education.

  • Quantum chemistry
  • Education
  • Prototyping

ExaCHEM

ExaChem is a suite of scalable electronic structure methods to perform ground and excited-state calculations on molecular systems.

  • Electronic structure
  • Scalable methods
  • HPC

ESCIP

Enhancing Science Courses by Integrating Python (ESCIP).

  • Education
  • Python
  • Curriculum
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