QEX - Quantum-Enhanced Density Functional Theory in JAX
QEX is an open-source JAX-based differentiable Kohn-Sham Density Functional Theory implementation for training quantum(-enhanced) neural exchange-correlation functionals.
Key features:
- Differentiable DFT implementation in JAX
- Integration with quantum neural networks
- Training of neural exchange-correlation functionals
- Chemical accuracy on molecular systems
This project was developed at Pasqal and represents a novel approach to integrating quantum models into density functional theory, enabling differentiable quantum-enhanced simulations.