The aims of the workshop can be summed up in the following four points

• Bring together fields of quantum computing and quantum chemistry.

• Determine which classes of problems in chemistry are most promising for quantum-assisted solutions.

• Estimate the gap between current state-of-the-art quantum hardware performance and requirements for useful quantum simulations of molecular systems.

• Further the integration of quantum computers in quantum chemistry codes, either as embedded subroutines or hybrid quantum-classical schemes.

The workshop will last 5 days in total, with a program structured along the following lines:

• Day 1: 4 Introductory talks. Each talk is followed by discussion in mixed groups in which a non-expert is asked to summarize the talk and expert(s) are asked to fill in on issues misunderstood or missed. Groups will rotate after each talk to make sure all participants meet each other and discuss.

• Day 2: Focus on near-term quantum computing: what are current limitations, what interfaces between classical/quantum are already in place.

• Day 3: Focus on open problems: what are the most interesting problems and can we identify a roadmap towards solving these?

• Day 4: Focus on long-term quantum computing.

• Day 5: Focus on how to best to combine classical/quantum computational techniques in a sustainable manner (working both for the near-term and the long-term) approach and exploration of possible follow-up collaborative efforts.

During Days 2-5 we anticipate having maximally 4 research talks per day related to the focus of the day. The remaining time is spent in smaller groups to discuss specific subtopics in depth.