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Towards quantum-centric simulations of extended molecules: sample-based quantum diagonalization enhanced with density matrix embedding theory
Akhil Shajan, Danil Kaliakin, Abhishek Mitra +9
Computing ground-state properties of molecules is a promising application for quantum computers operating in concert with classical high-performance computing resources. Quantum em…
Accurate quantum-centric simulations of supramolecular interactions
Danil Kaliakin, Akhil Shajan, Javier Robledo Moreno +9
We present the first quantum-centric simulations of noncovalent interactions using a supramolecular approach. We simulate the potential energy surfaces (PES) of the water and metha…
Diagonalization of large many-body Hamiltonians on a quantum processor
Nobuyuki Yoshioka, Mirko Amico, William Kirby +16
The estimation of low energies of many-body systems is a cornerstone of computational quantum sciences. Variational quantum algorithms can be used to prepare ground states on pre-f…
Chemistry Beyond the Scale of Exact Diagonalization on a Quantum-Centric Supercomputer
Javier Robledo-Moreno, Mario Motta, Holger Haas +14
A universal quantum computer can simulate diverse quantum systems, with electronic structure for chemistry offering challenging problems for practical use cases around the hundred-…
Robust Error Accumulation Suppression for Quantum Circuits
Tatsuki Odake, Philip Taranto, Nobuyuki Yoshioka +4
We present a \textit{robust error accumulation suppression} (\textbf{REAS}) technique to manage errors in quantum computers. Our method reduces the accumulation of errors in any qu…