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Quantum Simulation of Open Quantum Systems Using a Unitary Decomposition of Operators
Anthony W. Schlimgen, Kade Head-Marsden, LeeAnn M. Sager +2
Electron transport in realistic physical and chemical systems often involves the non-trivial exchange of energy with a large environment, requiring the definition and treatment of…
Quantum-Classical Hybrid Algorithm for the Simulation of All-Electron Correlation
Jan-Niklas Boyn, Aleksandr O. Lykhin, Scott E. Smart +2
While the treatment of chemically relevant systems containing hundreds or even thousands of electrons remains beyond the reach of quantum devices, the development of quantum-classi…
Relaxation of a Stationary State on a Quantum Computer Yields Unique Spectroscopic Fingerprint of the Computer's Noise
Scott E. Smart, Zixuan Hu, Sabre Kais +1
Quantum computing has the potential to revolutionize computing for certain classes of problems with exponential scaling, and yet this potential is accompanied by significant sensit…
Accurate singlet-triplet gaps in biradicals via the spin averaged anti-Hermitian contracted Schrödinger equation
Jan-Niklas Boyn, David A. Mazziotti
The accurate description of biradical systems, and in particular the resolution of their singlet-triplet gaps, has long posed a major challenge to the development of electronic str…
Dual-Cone Variational Calculation of the 2-Electron Reduced Density Matrix
David A. Mazziotti
The computation of strongly correlated quantum systems is challenging because of its potentially exponential scaling in the number of electron configurations. Variational calculati…
Resolving Correlated States of Benzyne on a Quantum Computer with an Error-Mitigated Quantum Contracted Eigenvalue Solver
Scott E. Smart, Jan-Niklas Boyn, David A. Mazziotti
The simulation of strongly correlated many-electron systems is one of the most promising applications for near-term quantum devices. Here we use a class of eigenvalue solvers (pres…