Enabling Chemically Accurate Quantum Phase Estimation in the Early Fault-Tolerant Regime

About

This repository contains the code and processed data used in

"Enabling Chemically Accurate Quantum Phase Estimation in the Early Fault-Tolerant Regime" https://arxiv.org/abs/2603.22778

by Shota Kanasugi et al.

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Requirement

The code was tested with the following package versions:

• Python==3.13.11
• numpy==2.3.0
• scipy==1.17.0
• matplotlib==3.10.8
• pandas==2.3.3
• h5py==3.15.1
• tqdm==4.67.1
• opt_einsum==3.4.0
• jax==0.91
• ffsim==0.0.69
• qualtran==0.7.0

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Repository Structure

• src/
  Core implementation of Hamiltonian optimization and resource estimation.

• hamiltonian/
  Data of molecular Hamiltonians used for resource estimation.

• figures/
  Jupyter notebooks used to generate the figures in the manuscript.

• scripts/
  Execution scripts for Hamiltonian optimization.

• qualtran/
  Jupyter notebooks used to generate the FTQC resource estimation data in the manuscript.

• demo/
  Example Jupyter notebook demonstrating the resource estimation workflow.

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License

See the LICENSE file for details.