Quantum computational chemistry

S McArdle, S Endo, A Aspuru-Guzik, SC Benjamin… - Reviews of Modern …, 2020 - APS
One of the most promising suggested applications of quantum computing is solving
classically intractable chemistry problems. This may help to answer unresolved questions …

Quantum simulation

IM Georgescu, S Ashhab, F Nori - Reviews of Modern Physics, 2014 - APS
Simulating quantum mechanics is known to be a difficult computational problem, especially
when dealing with large systems. However, this difficulty may be overcome by using some …

Encoding electronic spectra in quantum circuits with linear T complexity

R Babbush, C Gidney, DW Berry, N Wiebe, J McClean… - Physical Review X, 2018 - APS
We construct quantum circuits that exactly encode the spectra of correlated electron models
up to errors from rotation synthesis. By invoking these circuits as oracles within the recently …

Quantum computing and simulations for energy applications: Review and perspective

HP Paudel, M Syamlal, SE Crawford, YL Lee… - ACS Engineering …, 2022 - ACS Publications
Quantum computing and simulations are creating transformative opportunities by exploiting
the principles of quantum mechanics in new ways to generate and process information. It is …

Quantum simulators

I Buluta, F Nori - Science, 2009 - science.org
Quantum simulators are controllable quantum systems that can be used to simulate other
quantum systems. Being able to tackle problems that are intractable on classical computers …

Towards quantum chemistry on a quantum computer

BP Lanyon, JD Whitfield, GG Gillett, ME Goggin… - Nature …, 2010 - nature.com
Exact first-principles calculations of molecular properties are currently intractable because
their computational cost grows exponentially with both the number of atoms and basis set …

Simulation of electronic structure Hamiltonians using quantum computers

JD Whitfield, J Biamonte, A Aspuru-Guzik - Molecular Physics, 2011 - Taylor & Francis
Over the last century, a large number of physical and mathematical developments paired
with rapidly advancing technology have allowed the field of quantum chemistry to advance …

Effective quantum spin systems with trapped ions

D Porras, JI Cirac - Physical review letters, 2004 - APS
We show that the physical system consisting of trapped ions interacting with lasers may
undergo a rich variety of quantum phase transitions. By changing the laser intensities and …

Initial state preparation for quantum chemistry on quantum computers

S Fomichev, K Hejazi, MS Zini, M Kiser, J Fraxanet… - PRX Quantum, 2024 - APS
Quantum algorithms for ground-state energy estimation of chemical systems require a high-
quality initial state. However, initial state preparation is commonly either neglected entirely …

Measurement reduction in variational quantum algorithms

A Zhao, A Tranter, WM Kirby, SF Ung, A Miyake… - Physical Review A, 2020 - APS
Variational quantum algorithms are promising applications of noisy intermediate-scale
quantum (NISQ) computers. These algorithms consist of a number of separate prepare-and …