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Название: Python for Chemistry: An introduction to Python algorithms, Simulations, and Programing for Chemistry
Автор: Dr. M. Kanagasabapathy
Издательство: BPB Publications
Год: 2023
Страниц: 206
Язык: английский
Формат: epub (true)
Размер: 10.2 MB
A one-stop guide to teach chemists how to use Python for coding and iterations in a hands-on and practical manner. Python is a versatile and powerful computer language without a steep learning curve. It can be deployed to simulate various physicochemical parameters or to analyze complex molecular, bio-molecular, and crystalline structures. The objective of this book is to give a gentle introduction to Python programming with relevant algorithms, iterations, and basic simulations from a chemist’s perspective. This book outlines the fundamentals of Python coding through the built-in functions, libraries, and modules as well as with a few selected external packages for physical/materials/inorganic/analytical/organic/ nuclear chemistry in terms of numerical, symbolic, structural, and graphical data analysis using the default, Integrated Development and Learning Environment.
Автор: Dr. M. Kanagasabapathy
Издательство: BPB Publications
Год: 2023
Страниц: 206
Язык: английский
Формат: epub (true)
Размер: 10.2 MB
A one-stop guide to teach chemists how to use Python for coding and iterations in a hands-on and practical manner. Python is a versatile and powerful computer language without a steep learning curve. It can be deployed to simulate various physicochemical parameters or to analyze complex molecular, bio-molecular, and crystalline structures. The objective of this book is to give a gentle introduction to Python programming with relevant algorithms, iterations, and basic simulations from a chemist’s perspective. This book outlines the fundamentals of Python coding through the built-in functions, libraries, and modules as well as with a few selected external packages for physical/materials/inorganic/analytical/organic/ nuclear chemistry in terms of numerical, symbolic, structural, and graphical data analysis using the default, Integrated Development and Learning Environment.