🚀Quantum Computing for Chemistry

🧪 Chemistry in the Era of Quantum Computing

🌀 Format: Hybrid (on-site and online)
👉 Indicate your preference directly on the registration form at the top right of this page.

🎯 Objectives

This training presents the principles and tools of quantum computing applied to chemistry.
Participants will learn how quantum methods can be used to study molecular electronic structure and open new perspectives for modeling complex systems.

📚 Training Content

Basics of quantum chemistry with quantum computing:

  • Molecular electronic structure and Hamiltonian

  • Born-Oppenheimer approximation

  • Slater determinant and variational principle

  • Second quantization

  • Quantum speedups: theory vs. reality

Ground-state energy calculation with VQE (Variational Quantum Eigensolver):

  • Quantum chemistry in the NISQ era

  • Molecular electronic Hamiltonian in qubit form

  • VQE implementation: initial state, Ansatz, and ADAPT-VQE plugin

Practical exercises:

  • Building a Hamiltonian

  • Mapping fermionic Hamiltonians to qubit Hamiltonians

  • Creating a Hartree-Fock state

  • Designing chemistry-inspired Ansätze

  • Calculating the ground-state energy of H₂ and LiH molecules

👥 Target audience

  • PhD students, researchers, and faculty in chemistry, physics, or computer science

  • Engineers interested in quantum computing applications in chemistry

✅ Teaching methods

  • Theoretical lectures

  • Demonstrations

  • Programming sessions and hands-on exercises

📍 Location

Université de Reims Champagne-Ardenne – Moulin de la Housse Campus, Room CHPS (next to the ROMEO computing center).

This training is offered free of charge by Eviden as part of the EuroCC2 project (CC-FR), MesoNet, and MaQuEst.