Code

Software

  • PyEPH

    Builds electron–phonon Hamiltonians from first-principles calculations and simulates charge transport at finite temperature.

    GitHub Paper

  • Renormalizer

    Uses tensor networks to simulate quantum dynamics, molecular spectra, and charge transport in electron–phonon systems.

    GitHub Docs

  • ipie

    Performs auxiliary-field quantum Monte Carlo calculations for quantum chemistry and model Hamiltonians on CPUs and GPUs.

    GitHub Docs Paper

  • AgentFarm

    Coordinates parallel research agents and preserves shared task records, decisions, and execution evidence across sessions, helping researchers review results and continue unfinished work.

    GitHub Essay

Learning Projects

Notes, tutorials, and small implementations on GitHub.

  • NQS / VMC

    Neural quantum states · variational Monte Carlo

  • AFQMC

    Auxiliary-field quantum Monte Carlo · hydrogen chain

  • Quantum Computing

    Qiskit · variational quantum dynamics

  • MCMC

    Markov chain Monte Carlo · 2D Ising model

  • SSH Model

    Su–Schrieffer–Heeger model · electronic structure

  • HF/FCI

    Hartree–Fock · full configuration interaction

    2017

  • DMRG

    Single-site MPS/MPO · XXZ spin chain

    2017

Research Workflows

Automation for computational research.

  • PhorsOLED

    Phosphorescent OLEDs · automated photophysics calculations Paper