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Pauli propagation enables fast classical simulation of strongly correlated quantum systems
Chinmay Shrikhande, Arnab Bachhar, Aaron Rodriguez Jimenez +2
Ground state energy estimation for strongly correlated quantum systems remains a central challenge in computational physics and chemistry. While tensor network methods like DMRG pr…
Computing Exchange Coupling constants in Transition metal complexes with Tensor Product Selected Configuration Interaction
Arnab Bachhar, Nicholas J. Mayhall
Transition metal complexes present significant challenges for electronic structure theory due to strong electron correlation arising from partially filled -orbitals. We compare…
Qubit-efficient quantum chemistry with the ADAPT variational quantum eigensolver and double unitary downfolding
Harjeet Singh, Luke W. Bertels, Daniel Claudino +5
In this work, we combine the recently developed double unitary coupled cluster (DUCC) theory with the adaptive, problem-tailored variational quantum eigensolver (ADAPT-VQE) to expl…
TEPID-ADAPT: Adaptive variational method for simultaneous preparation of low-temperature Gibbs and low-lying eigenstates
Bharath Sambasivam, Kyle Sherbert, Karunya Shirali +4
Preparing Gibbs states, which describe systems in equilibrium at finite temperature, is of great importance, particularly at low temperatures. In this work, we propose a new method…
Floquet-ADAPT-VQE: A Quantum Algorithm to Simulate Non-Equilibrium Physics in Periodically Driven Systems
Abhishek Kumar, Karunya Shirali, Nicholas J. Mayhall +2
Periodically driven quantum systems exhibit many fascinating phenomena absent in equilibrium systems, but their simulation is more challenging than that of static systems. Conseque…