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quant-ph2025
Quantum simulation of electronic structure via quantum fast multipole method
Dominic W. Berry, Kianna Wan, Andrew D. Baczewski +3
Here we describe an approach for simulating electronic structure on quantum computers with significantly lower asymptotic complexity than prior work. The approach uses a real-space…
physics.chem-ph2025★ 39 cited
Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics
Léon E. Cigrang, Basile F. E. Curchod, Rebecca A. Ingle +42
Simulating the coupled electronic and nuclear response of a molecule to light excitation requires the application of nonadiabatic molecular dynamics. However, when faced with a spe…