English | 2022 | ISBN: 978-1803243900 | 354 Pages | PDF, EPUB | 36 MB
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
Key Features
- Be at the forefront of a quest for increased accuracy in chemistry applications and computing
- Get familiar with some open source quantum chemistry packages to run your own experiments
- Develop awareness of computational chemistry problems by using postulates of quantum mechanics
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
What you will learn
- Understand mathematical properties of the building blocks of matter
- Run through the principles of quantum mechanics with illustrations
- Design quantum gate circuit computations
- Program in open-source chemistry software packages such as Qiskit®
- Execute state-of-the-art-chemistry calculations and simulations
- Run companion Jupyter notebooks on the cloud with just a web browser
- Explain standard approximations in chemical simulations
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