We are pleased to announce the first edition of the Chemical Applications of Quantum Computing workshop, to be held in Bellevue, Washington as part of the 2023 IEEE International Conference on Quantum Computing and Engineering (QCE23). We intend for this workshop to be a long-lasting venue for community engagement and collaborations focusing on the state-of-the-art and future of quantum computing as a driving force behind research and development in chemistry.

 

Workshop Structure

As is standard for the IEEE Quantum Week, this workshop consists of three 90-minute sessions. Each session will be primarily concerned with a broad theme identified by the organizers to be of great current relevance. Each session will start with an invited presentation, followed by three contributed talks (more information below) following the time breakdown below: 

• Invited: 35 minutes total (30 minutes presentation + 5 minutes discussion/Q&A)
• Contributed: 25 minutes total (20 minutes presentation + 5 minutes discussion/Q&A) 

Workshop Scope

We invited abstracts for contributed presentations that primarily align with the following topics: 

• New algorithms for chemical applications 
• Experimental demonstrations on quantum hardware 
• Novel applications, e.g., new and exotic molecules and chemical systems, molecular properties and energetics beyond ground state energy estimation 

Abstracts will be selected based on impact and adherence to the main topic of the workshop. Accepted abstracts will be placed in the sessions they most overlap with.

Workshop Agenda 🔗

Session I	Chair: Daniel Claudino
10:00 – 10:05	Welcome and opening remarks
10:05 – 10:40	Artur Izmaylov (University of Toronto) Quantum Computing for Quantum Chemistry: How to bring quantum advantage sooner
10:40 – 11:05	Meena Gowrishankar (University of Tennessee, Knoxville) Logical Error Rates for the Variational Quantum Eigensolver using a [[4,2,2]] Encoded Ansatz
11:05 – 11:30	Joshua Goings (IonQ) Optimizing Variational Quantum Eigensolver for Simulating Benzene Molecules on Trapped-Ion Quantum Computers
Break (11:30 – 13:00)
Session II	Chair: Nicholas Bauman
13:00 – 13:05	Welcome and opening remarks
13:05 – 13:40	David Muñoz Ramo (Quantinuum) Experimental realization of quantum phase estimation protected by an error detection code
13:40 – 14:05	Luke Bertels (Oak Ridge National Laboratory) Symmetry breaking slows convergence of the ADAPT Variational Quantum Eigensolver
14:05 – 14:30	Alexandre Fleury (Good Chemistry Company) Efficient state preparation on quantum computers using non-unitary CCSD
Break (14:30 – 15:00)
Session III	Chair: Travis Humble
15:00 – 15:05	Welcome and opening remarks
15:05 – 15:40	Sabre Kais (Purdue University) Quantum Boltzmann Machine for Electronic Structure Calculations on Quantum Devices
15:40 – 16:05	Waheeda Saib (LIACS, IBM Research-Africa, Universiteit Leiden) Benchmarking Adaptive Quantum Circuit Optimisation Algorithms for Quantum Chemistry
16:05 – 16:30	Gopal Ramesh Dahale (Indian Institute of Technology) Quantum Simulations for Carbon Capture on Metal-Organic Frameworks