47 citations · 255 across the 11 of their papers we have counts for
11 papers
Measurement optimization techniques for excited electronic states in near-term quantum computing algorithms
Seonghoon Choi, Artur F. Izmaylov
The variational quantum eigensolver (VQE) remains one of the most popular near-term quantum algorithms for solving the electronic structure problem. Yet, for its practicality, the…
Fluid fermionic fragments for optimizing quantum measurements of electronic Hamiltonians in the variational quantum eigensolver
Seonghoon Choi, Ignacio Loaiza, Artur F. Izmaylov
Measuring the expectation value of the molecular electronic Hamiltonian is one of the challenging parts of the variational quantum eigensolver. A widely used strategy is to express…
Improving quantum measurements by introducing "ghost" Pauli products
Seonghoon Choi, Tzu-Ching Yen, Artur F. Izmaylov
Reducing the number of measurements required to estimate the expectation value of an observable is crucial for the variational quantum eigensolver to become competitive with state-…
High-order geometric integrators for representation-free Ehrenfest dynamics
Seonghoon Choi, Jiří Vaníček
Ehrenfest dynamics is a useful approximation for ab initio mixed quantum-classical molecular dynamics that can treat electronically nonadiabatic effects. Although a severe approxim…
Which form of the molecular Hamiltonian is the most suitable for simulating the nonadiabatic quantum dynamics at a conical intersection?
Seonghoon Choi, Jiří Vaníček
Choosing an appropriate representation of the molecular Hamiltonian is one of the challenges faced by simulations of the nonadiabatic quantum dynamics around a conical intersection…
How important are the residual nonadiabatic couplings for an accurate simulation of nonadiabatic quantum dynamics in a quasidiabatic representation?
Seonghoon Choi, Jiří Vaníček
Diabatization of the molecular Hamiltonian is a standard approach to removing the singularities of nonadiabatic couplings at conical intersections of adiabatic potential energy sur…