Quantum computing for quantum chemistry / Philipp Schleich, Luis Mantilla Calderón, Chong Sun, Mohsen Bagherimehrab, Abdulrahman Aldossary, Jakob S. Kottmann and Alán Aspuru-Guzik, authors.

Format:

Book

Author/Creator:

Schleich, Philipp, University of Toronto., author.

Calderón, Luis Mantilla, author.

Sun, Chong, Rice University., author.

Bagherimehrab, Mohsen, University of Toronto., author.

Aldossary, Abdulrahman, University of Toronto., author.

Kottmann, Jakob S., University of Augsburg., author.

Aspuru-Guzik, Alán, University of Toronto., author.

Contributor:

American Chemical Society

Series:

ACS in focus. 2691-8307

ACS in focus, 2691-8307

Language:

English

Subjects (All):

Quantum chemistry.

Quantum computing.

Genre:

Electronic books.

Physical Description:

1 online resource : illustrations (some color).

Place of Publication:

Washington, DC, USA : American Chemical Society, 2025.

Summary:

"Quantum computing is expected to advance research in quantum chemistry by enabling more accurate simulations of molecules and chemical reactions. By solving complex problems faster than classical computers, quantum computers could have the potential to improve predictions of molecular properties, simulate reactions, and enhance techniques like spectroscopy. These advancements promise to significantly aid drug discovery, material design, and understanding of molecular behavior. Quantum Computing for Quantum Chemistry focuses solely on quantum chemistry as an application, as it is the subfield with the most concrete potential for quantum computing. If this work is your first exposure to quantum chemistry and quantum computing, focus on chapters one and two. Both quantum chemistry and quantum computing by themselves are rather technically involved disciplines. The reader should have had an introductory course on quantum mechanics and linear algebra and some exposure to computational chemistry and quantum chemistry. The primary audience for this work is graduate students familiar with quantum computing but not quantum chemistry or those familiar with quantum chemistry but not quantum computing. The authors provide pointers to useful textbooks throughout the work for those who need background on the material."-- Provided by publisher.

Contents:

Quantum Chemistry and Quantum Computing

Hands-on Introduction of Basic Routines

Advanced Topics

Input Model for Hamiltonian Simulation.

Notes:

Includes bibliographical references and index.

Local Notes:

American Chemical Society, Quantum Computing for Quantum Chemistry eBooks - 2025 Front Files.

ISBN:

9780841295964

Access Restriction:

Restricted for use by site license.