- Devloper of SAFIRE on github, a general purpose Auxiliary-Field Quantum Monte Carlo (AFQMC) code supporting molecules, ab initio solids, and lattice models;
- Co-Author of AutoHF on github, a GPU-accelerated Hartree-Fock (HF) solver built on JAX/autodiff and focused on lattice model systems. Able to handle general systems via custom Hamiltonian terms.
- Contributed AFQMC benchmark data to "Downfolding from ab initio to interacting model Hamiltonians: comprehensive analysis and benchmarking of the DFT+cRPA approach" npj Computational Materials volume 10, Article number: 129 (2024)
- Application of AFQMC to Molecular Magnets. J. Chem. Phys. 158, 234110 (2023)
- The treatment of spin-orbit coupling in ab initio AFQMC calculations. J. Chem. Phys. 156, 014107 (2022)
- embeddingAFQMC Python library : Local embedding methods for Auxiliary-Field Quantum Monte Carlo (AFQMC) J. Chem. Theory Comput. 2019, 15, 7, 3949–3959
- 🔭See my AppSec project Bad Apps : Blog, a blog web application where I practice implementing useful features while following secure design / coding best practices.