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Error-Mitigation Enabled Multicomponent Quantum Simulations Beyond the Born-Oppenheimer Approximation
Delmar G. A. Cabral, Brandon Allen, Fabijan Pavošević +6
We introduce a multicomponent unitary coupled cluster framework for quantum simulations of molecular systems that incorporate both electronic and nuclear quantum effects beyond the…
The Quantum Ensemble Variational Optimization Algorithm: Applications to Molecular Inverse Design
Francesco Calcagno, Delmar G. A. Cabral, Ivan Rivalta +1
Designing molecules with optimized properties remains a fundamental challenge due to the intricate relationship between molecular structure and properties. Traditional computationa…
A Roadmap for Simulating Chemical Dynamics on a Parametrically Driven Bosonic Quantum Device
Delmar G. A. Cabral, Pouya Khazaei, Brandon C. Allen +8
Chemical reactions are commonly described by the reactive flux transferring population from reactants to products across a double-well free energy barrier. Dynamics often involves…
Asymmetry Control in a Parametric Oscillator for the Quantum Simulation of Chemical Activation
Alejandro Cros Carrillo de Albornoz, Rodrigo G. Cortiñas, Max Schäfer +8
Dissipative tunneling remains a cornerstone effect in quantum mechanics. In chemistry, it plays a crucial role in governing the rates of chemical reactions, often modeled as the mo…
Simulating electronic structure on bosonic quantum computers
Rishab Dutta, Nam P. Vu, Chuzhi Xu +7
Quantum harmonic oscillators, or qumodes, provide a promising and versatile framework for quantum computing. Unlike qubits, which are limited to two discrete levels, qumodes have a…
Simulating Chemistry on Bosonic Quantum Devices
Rishab Dutta, Delmar G. A. Cabral, Ningyi Lyu +23
Bosonic quantum devices offer a novel approach to realize quantum computations, where the quantum two-level system (qubit) is replaced with the quantum (an)harmonic oscillator (qum…