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Quantum Chemistry in the Age of Quantum Computing
Yudong Cao, Jonathan Romero, Jonathan P. Olson +10
Practical challenges in simulating quantum systems on classical computers have been widely recognized in the quantum physics and quantum chemistry communities over the past century…
Quantum algorithm for calculating molecular vibronic spectra
Nicolas P. D. Sawaya, Joonsuk Huh
We present a quantum algorithm for calculating the vibronic spectrum of a molecule, a useful but classically hard problem in chemistry. We show several advantages over previous qua…
Temperature-dependent conformations of exciton-coupled Cy3 dimers in double-stranded DNA
Loni Kringle, Nicolas P. D. Sawaya, Julia Widom +4
Understanding the properties of electronically interacting molecular chromophores, which involve internally coupled electronic-vibrational motions, is important to the spectroscopy…