Guide to TenCirChem

TenCirChem is an efficient and versatile quantum computation package for molecular properties. TenCirChem is based on TensorCircuit, with heavy optimization for chemistry applications.

The advantages of TenCirChem are

• It is written by and for chemists. 🧪

• It is 10000x or more faster than other packages in the market. 🥇

• It supports noisy circuit and quantum dynamics simulation. 🏃

• It is light weight and easy to hack. ⚒

• Quick Start
  • Installation
  • UCC Calculation
  • UCC Speed
  • Noisy Circuit Simulation
  • Dynamics Calculation
  • Further Readings
• Advanced Topics
  • Engines
  • Backends
  • Boson Encoding
• Tutorials
  • UCC Functions
  • Potential Energy Surface of the Water Molecule
  • ADAPT VQE
  • Benchmark engines
  • Hubbard Model by UCCSD
  • Noisy Circuit Simulation
  • Dynamics of the Spin-Boson Model
  • Observing Marcus Inverted Region
  • Variational Basis State Encoder (Ground State)
  • Variational Basis State Encoder (Time Dependent)
• Frequently Asked Questions
  • What are the conventions for excitation operators/integrals/orbital indices…
  • Why are the number of excitation operators and the number of parameters different?/What is param_ids?
  • Why is TenCirChem so fast?
  • How does TenCirChem evaluate UCC gradient?
  • How to use GPU in TenCirChem?
  • Why is JAX backend so slow on first run?
• API Reference
  • UCCSD
  • k-UpCCGSD
  • Paired UCCD (pUCCD)
  • UCC
  • Headware-Efficient Ansatz and Noisy Circuit Simulation