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quant-ph2026
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…
quant-ph2026
End-to-End Simulation of Chemical Dynamics on a Quantum Computer
Elliot C. Eklund, Arkin Tikku, Patrick Sinnott +4
Simulations of chemical dynamics are a powerful means for understanding chemistry. However, classical computers struggle to simulate many chemical processes, especially non-adiabat…
quant-ph2025
Classical Estimation of the Free Energy and Quantum Gibbs Sampling from the Markov Entropy Decomposition
Samuel O. Scalet, Angela Capel, Anirban N. Chowdhury +4
We revisit the Markov Entropy Decomposition, a classical convex relaxation algorithm introduced by Poulin and Hastings to approximate the free energy in quantum spin lattices. We i…