Julia E Rice

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quant-ph2024

Simulation of a Diels-Alder Reaction on a Quantum Computer

Ieva Liepuoniute, Mario Motta, Thaddeus Pellegrini +4

The simulation of chemical reactions is an anticipated application of quantum computers. Using a Diels-Alder reaction as a test case, in this study we explore the potential applica…

quant-ph2023

Subspace methods for electronic structure simulations on quantum computers

Mario Motta, William Kirby, Ieva Liepuoniute +7

Quantum subspace methods (QSMs) are a class of quantum computing algorithms where the time-independent Schrodinger equation for a quantum system is projected onto a subspace of the…

quant-ph2023

Quantum computation of $π \to π^{}$ and $n \to π^{}$ excited states of aromatic heterocycles

Maria A. Castellanos, Mario Motta, Julia E. Rice

The computation of excited electronic states is an important application for quantum computers. In this work, we simulate the excited state spectra of four aromatic heterocycles on…

Simulation of a Diels-Alder Reaction on a Quantum Computer

Subspace methods for electronic structure simulations on quantum computers

Quantum computation of π→π∗ and n→π∗ excited states of aromatic heterocycles

Quantum computation of $π \to π^{}$ and $n \to π^{}$ excited states of aromatic heterocycles