Literature DB >> 31469277

Quantum Chemistry in the Age of Quantum Computing.

Yudong Cao1,2, Jonathan Romero1,2, Jonathan P Olson1,2, Matthias Degroote1,3,4, Peter D Johnson1,2, Mária Kieferová2,5,6, Ian D Kivlichan1,7, Tim Menke7,8,9, Borja Peropadre2, Nicolas P D Sawaya10, Sukin Sim1,2, Libor Veis11, Alán Aspuru-Guzik1,2,3,4,12,13.   

Abstract

Practical challenges in simulating quantum systems on classical computers have been widely recognized in the quantum physics and quantum chemistry communities over the past century. Although many approximation methods have been introduced, the complexity of quantum mechanics remains hard to appease. The advent of quantum computation brings new pathways to navigate this challenging and complex landscape. By manipulating quantum states of matter and taking advantage of their unique features such as superposition and entanglement, quantum computers promise to efficiently deliver accurate results for many important problems in quantum chemistry, such as the electronic structure of molecules. In the past two decades, significant advances have been made in developing algorithms and physical hardware for quantum computing, heralding a revolution in simulation of quantum systems. This Review provides an overview of the algorithms and results that are relevant for quantum chemistry. The intended audience is both quantum chemists who seek to learn more about quantum computing and quantum computing researchers who would like to explore applications in quantum chemistry.

Year:  2019        PMID: 31469277     DOI: 10.1021/acs.chemrev.8b00803

Source DB:  PubMed          Journal:  Chem Rev        ISSN: 0009-2665            Impact factor:   60.622


  23 in total

1.  Realizing quantum convolutional neural networks on a superconducting quantum processor to recognize quantum phases.

Authors:  Johannes Herrmann; Sergi Masot Llima; Ants Remm; Petr Zapletal; Nathan A McMahon; Colin Scarato; François Swiadek; Christian Kraglund Andersen; Christoph Hellings; Sebastian Krinner; Nathan Lacroix; Stefania Lazar; Michael Kerschbaum; Dante Colao Zanuz; Graham J Norris; Michael J Hartmann; Andreas Wallraff; Christopher Eichler
Journal:  Nat Commun       Date:  2022-07-16       Impact factor: 17.694

2.  Classical simulation of boson sampling with sparse output.

Authors:  Wojciech Roga; Masahiro Takeoka
Journal:  Sci Rep       Date:  2020-09-07       Impact factor: 4.379

3.  Bell Diagonal and Werner State Generation: Entanglement, Non-Locality, Steering and Discord on the IBM Quantum Computer.

Authors:  Elias Riedel Gårding; Nicolas Schwaller; Chun Lam Chan; Su Yeon Chang; Samuel Bosch; Frederic Gessler; Willy Robert Laborde; Javier Naya Hernandez; Xinyu Si; Marc-André Dupertuis; Nicolas Macris
Journal:  Entropy (Basel)       Date:  2021-06-23       Impact factor: 2.524

4.  The determination of antibacterial mode for cationic lipopeptides brevibacillins against Salmonella typhimurium by quantum chemistry calculation.

Authors:  Yubo Wu; Ting Nie; Fanqiang Meng; Libang Zhou; Meirong Chen; Jing Sun; Zhaoxin Lu; Yingjian Lu
Journal:  Appl Microbiol Biotechnol       Date:  2021-06-23       Impact factor: 4.813

5.  Hybrid Quantum-Classical Neural Network for Calculating Ground State Energies of Molecules.

Authors:  Rongxin Xia; Sabre Kais
Journal:  Entropy (Basel)       Date:  2020-07-29       Impact factor: 2.524

Review 6.  Application of Quantum Computing to Biochemical Systems: A Look to the Future.

Authors:  Hai-Ping Cheng; Erik Deumens; James K Freericks; Chenglong Li; Beverly A Sanders
Journal:  Front Chem       Date:  2020-11-24       Impact factor: 5.221

7.  A quantum annealing approach to ionic diffusion in solids.

Authors:  Keishu Utimula; Tom Ichibha; Genki I Prayogo; Kenta Hongo; Kousuke Nakano; Ryo Maezono
Journal:  Sci Rep       Date:  2021-03-31       Impact factor: 4.379

8.  Benchmarking Adaptive Variational Quantum Eigensolvers.

Authors:  Daniel Claudino; Jerimiah Wright; Alexander J McCaskey; Travis S Humble
Journal:  Front Chem       Date:  2020-12-04       Impact factor: 5.221

9.  Reduction of the molecular hamiltonian matrix using quantum community detection.

Authors:  Susan M Mniszewski; Pavel A Dub; Sergei Tretiak; Petr M Anisimov; Yu Zhang; Christian F A Negre
Journal:  Sci Rep       Date:  2021-02-18       Impact factor: 4.996

10.  A quantum algorithm for spin chemistry: a Bayesian exchange coupling parameter calculator with broken-symmetry wave functions.

Authors:  Kenji Sugisaki; Kazuo Toyota; Kazunobu Sato; Daisuke Shiomi; Takeji Takui
Journal:  Chem Sci       Date:  2020-12-24       Impact factor: 9.825

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