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Quantum Chemistry and Computing for the Curious
book

Quantum Chemistry and Computing for the Curious

by Keeper Layne Sharkey, Alex Khan, Alain Chancé
May 2022
Intermediate to advanced
354 pages
8h 57m
English
Packt Publishing

Overview

Dive into 'Quantum Chemistry and Computing for the Curious', an enlightening journey into the intersecting domains of quantum mechanics and computational chemistry. Learn to use Python and Qiskit for simulations as you explore the theoretical underpinnings of quantum systems and practical applications in the chemical realm.

What this Book will help me do

  • Understand fundamental principles of quantum mechanics as they apply to chemical systems.
  • Learn to design and implement quantum simulations using Qiskit and Python.
  • Gain insights into computational methods to enhance accuracy in molecular simulations.
  • Explore advanced quantum chemistry concepts beyond standard approximations like Born-Oppenheimer.
  • Develop practical skills to analyze and solve real-world problems in quantum computational chemistry.

Author(s)

Keeper Layne Sharkey, Alex Khan, and None Chancé bring a wealth of expertise from quantum chemistry and computational science domains. Their engaging and practical approach to explaining modern quantum tools makes advanced concepts accessible. Together, they inspire both curiosity and critical thinking in learners.

Who is it for?

This book is ideal for professionals and students embarking on a journey into quantum chemistry and computing. No prior experience in quantum mechanics is necessary, though a basic understanding of high school-level chemistry, math, and Python will be helpful. Aspiring computational chemists and curious learners in computer science or physics will find this an invaluable resource.

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Publisher Resources

ISBN: 9781803243900