39 citations · 39 across the 3 of their papers we have counts for
4 papers
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…
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…
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…
Hybrid Quantum Algorithm for Simulating Real-Time Thermal Correlation Functions
Elliot C. Eklund, Nandini Ananth
We present a hybrid Path Integral Monte Carlo (hPIMC) algorithm to calculate real-time quantum thermal correlation functions and demonstrate its application to open quantum systems…