Physical and Theoretical Chemistry

Quantum Computing and Quantum Simulation for Chemistry

Additional sessions will consider quantum simulation of real-time dynamics, nonadiabatic processes, and the calculation of spectra and rate constants. Presentations may cover hardware co-design across superconducting, trapped-ion, neutral-atom and photonic platforms, together with compilation and noise-aware circuit construction. Discussion will extend to honest benchmarking protocols, resource-normalised comparisons, and the definition of problem instances where quantum methods may first prove useful. NISQ-era demonstrations and their limitations will also be addressed. Responsible presentation of quantum advantage claims will be emphasized, including open benchmarks, reproducible workflows, and collaborations between algorithm developers, quantum-chemistry groups and experimentalists working on catalysis, energy materials and molecular design.