Quantum chemicals and quantum calculations with examples on Python. Sharki K.L., Chance A.

This book, using the postulates of quantum mechanics, explains the complex connections of quantum chemicals and quantum calculations. To do this, use the Python code and software for chemistry with open source, such as Qiskit. The examples of the calculations of real atoms and molecules show how quantum chemicals and quantum calculations help solve the problems of chemical science and industry.

You will learn: to understand the mathematical description of atoms and molecules as the main building blocks of matter; calculating the scheme of the quantum shutter; implementation of modern chemical calculations and modeling; launching the Jupyter Notebooks in the cloud using a web browser; Understanding the standard approximations of chemical modeling.

The publication is intended for readers interested in chemistry and informatics, and will also be useful to professionals seeking to deepen knowledge in the field of quantum computing chemistry.