NEASQC webinar: Nuclear Electronic Orbital Approach on Quantum Computers

Date: 5 September 2023
Time: 10:00-11:15 CEST

NEASQC is organising a series of interactive webinars to share our findings with the quantum computing community. Each month NEASQC experts present an Open Source library available in the NEASQC GitHub or a technique they investigated, and answer your questions.

In September, we are sharing some outcomes from the use case Drug Discovery.

Abstract: Efficient encoding of the proton-electron coupled systems for quantum computing and its application for quantum dynamics.

Speaker: Dr Arseny Kovyrshin, AstraZeneca

Arseny received his Ph.D. in quantum chemistry at the University of Munster under the supervision of Prof. Johannes Neugebauer. He then worked at ETH Zurich in the group of Prof. Markus Reiher, and, in 2021, he joined the group of Dr. Anders Broo at AstraZeneca.

Dr Cyril Allouche, technical director of the NEASQC project and Head of Quantum Computing R&D at Eviden (an Atos business) will give a brief introduction to this first webinar of the series.

Related publications

• A quantum computing implementation of nuclearelectronic orbital (NEO) theory: Toward an exact pre-Born–Oppenheimer formulation of molecular quantum systems (The Journal of Chemical Physics)
• Nonadiabatic Nuclear–Electron Dynamics: A Quantum Computing Approach (The Journal of Physical Chemistry Letters)

Related Open Source library

• NEASQC GitHub / Variational algorithms