Quantum chemistry simulation on quantum computers: theories and experiments

2012 ◽  
Vol 14 (26) ◽  
pp. 9411 ◽  
Author(s):  
Dawei Lu ◽  
Boruo Xu ◽  
Nanyang Xu ◽  
Zhaokai Li ◽  
Hongwei Chen ◽  
...  
Keyword(s):  
Quantum Chemistry ◽  
Quantum Computers ◽  
Quantum Chemistry Simulation

scholarly journals Faster quantum chemistry simulation on fault-tolerant quantum computers

2012 ◽  
Vol 14 (11) ◽  
pp. 115023 ◽  
Author(s):  
N Cody Jones ◽  
James D Whitfield ◽  
Peter L McMahon ◽  
Man-Hong Yung ◽  
Rodney Van Meter ◽  
...  
Keyword(s):  
Quantum Chemistry ◽  
Fault Tolerant ◽  
Quantum Computers ◽  
Quantum Chemistry Simulation

scholarly journals Simulating quantum chemistry in the seniority-zero space on qubit-based quantum computers

2021 ◽  
Vol 103 (3) ◽  
Author(s):  
Vincent E. Elfving ◽  
Marta Millaruelo ◽  
José A. Gámez ◽  
Christian Gogolin
Keyword(s):  
Quantum Chemistry ◽  
Quantum Computers

scholarly journals Experimental study of quantum simulation for quantum chemistry with a nuclear magnetic resonance simulator

2012 ◽  
Vol 370 (1976) ◽  
pp. 4734-4747 ◽  
Author(s):  
Dawei Lu ◽  
Nanyang Xu ◽  
Boruo Xu ◽  
Zhaokai Li ◽  
Hongwei Chen ◽  
...  
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Quantum Chemistry ◽  
Quantum Simulation ◽  
Isomerization Reaction ◽  
Quantum Computers ◽  
One Dimensional ◽  
Time Quantum ◽  
Near Future ◽  
Nuclear Magnetic

Quantum computers have been proved to be able to mimic quantum systems efficiently in polynomial time. Quantum chemistry problems, such as static molecular energy calculations and dynamical chemical reaction simulations, become very intractable on classical computers with scaling up of the system. Therefore, quantum simulation is a feasible and effective approach to tackle quantum chemistry problems. Proof-of-principle experiments have been implemented on the calculation of the hydrogen molecular energies and one-dimensional chemical isomerization reaction dynamics using nuclear magnetic resonance systems. We conclude that quantum simulation will surpass classical computers for quantum chemistry in the near future.

scholarly journals Chemical basis of Trotter-Suzuki errors in quantum chemistry simulation

2015 ◽  
Vol 91 (2) ◽  
Author(s):  
Ryan Babbush ◽  
Jarrod McClean ◽  
Dave Wecker ◽  
Alán Aspuru-Guzik ◽  
Nathan Wiebe
Keyword(s):  
Quantum Chemistry ◽  
Chemical Basis ◽  
Quantum Chemistry Simulation

Quantum Chemistry on Quantum Computers: A Polynomial-Time Quantum Algorithm for Constructing the Wave Functions of Open-Shell Molecules

2016 ◽  
Vol 120 (32) ◽  
pp. 6459-6466 ◽  
Author(s):  
Kenji Sugisaki ◽  
Satoru Yamamoto ◽  
Shigeaki Nakazawa ◽  
Kazuo Toyota ◽  
Kazunobu Sato ◽  
...  
Keyword(s):  
Quantum Chemistry ◽  
Polynomial Time ◽  
Quantum Algorithm ◽  
Open Shell ◽  
Wave Functions ◽  
Quantum Computers ◽  
Time Quantum

scholarly journals Quantum Chemistry on Quantum Computers: A Method for Preparation of Multiconfigurational Wave Functions on Quantum Computers without Performing Post-Hartree–Fock Calculations

2018 ◽  
Vol 5 (1) ◽  
pp. 167-175 ◽  
Author(s):  
Kenji Sugisaki ◽  
Shigeaki Nakazawa ◽  
Kazuo Toyota ◽  
Kazunobu Sato ◽  
Daisuke Shiomi ◽  
...  
Keyword(s):  
Quantum Chemistry ◽  
Wave Functions ◽  
Quantum Computers ◽  
Hartree Fock

Quantum Chemistry Simulation of Biological Molecules

2020 ◽  
Author(s):  
Eudenilson Albuquerque ◽  
Umberto Laino Fulco ◽  
Ewerten Caetano ◽  
Valder Freire
Keyword(s):  
Quantum Chemistry ◽  
Biological Molecules ◽  
Quantum Chemistry Simulation

scholarly journals Relativistic quantum chemistry on quantum computers

2012 ◽  
Vol 85 (3) ◽  
Author(s):  
Libor Veis ◽  
Jakub Višňák ◽  
Timo Fleig ◽  
Stefan Knecht ◽  
Trond Saue ◽  
...  
Keyword(s):  
Quantum Chemistry ◽  
Relativistic Quantum ◽  
Quantum Computers ◽  
Relativistic Quantum Chemistry
Sign in / Sign up

Export Citation Format

Share Document