Quantum Chemistry and Computing for the Curious [ebook]

Quantum Chemistry and Computing for the Curious

Keeper L. Sharkey, Alain Chancé

Updated on Mar, 2025

Teaching and Academics , Science, Chemistry

Formats : PDF (Read Only)

ISBN : 9781803238593

Acquire knowledge of quantum chemistry concepts, the postulates of quantum mechanics, and the foundations of quantum computing, and execute illustrations made with Python code, Qiskit, and open-source quantum chemistry packages

Explore quantum chemical concepts and the postulates of quantum mechanics in a modern fashion, with the intent to see how chemistry and computing intertwine. Along the way you’ll relate these concepts to quantum information theory and computation. We build a framework of computational tools that lead you through traditional computational methods and straight to the forefront of exciting opportunities. These opportunities will rely on achieving next-generation accuracy by going further than the standard approximations such as beyond Born-Oppenheimer calculations.

Discover how leveraging quantum chemistry and computing is a key enabler for overcoming major challenges in the broader chemical industry. The skills that you will learn can be utilized to solve new-age business needs that specifically hinge on quantum chemistry

Who this book is for

Professionals interested in chemistry and computer science at the early stages of learning, or interested in a career of quantum computational chemistry and quantum computing, including advanced high school and college students. Helpful to have high school level chemistry, mathematics (algebra), and programming. An introductory level of understanding Python is sufficient to read the code presented to illustrate quantum chemistry and computing

Packt are an established, trusted, and innovative global technical learning publisher, founded in Birmingham, UK with over eighteen years experience delivering rich premium content from ground-breaking authors and lecturers on a wide range of emerging and established technologies for professional development.

Packt’s purpose is to help technology professionals advance their knowledge and support the growth of new technologies by publishing vital user focused knowledge-based content faster than any other tech publisher, with a growing library of over 9,000 titles, in book, e-book, audio and video learning formats, our multimedia content is valued as a vital learning tool and offers exceptional support for the development of technology knowledge.

We publish on topics that are at the very cutting edge of technology, helping IT professionals learn about the newest tools and frameworks in a way that suits them.

Become a valued member of Tutorials Point and enjoy unlimited access to our vast library of top-rated Video Courses

Master prominent technologies at full length and become a valued certified professional.