Python For Chemists

Author : Kiyoto Aramis Tanemura
Publisher : American Chemical Society
ISBN 13 : 0841299250
Total Pages : 263 pages
Book Rating : 4.52/5 ( download)

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Download or read book Python for Chemists written by Kiyoto Aramis Tanemura and published by American Chemical Society. This book was released on 2022-08-24 with total page 263 pages. Available in PDF, EPUB and Kindle. Book excerpt: Programming in Python empowers chemists to apply their domain knowledge to scales unreachable by manual effort. Learning Python is easy, but contextualizing chemical problems in Python is not always obvious. Readers of this primer develop the skill to identify problems in their research for which code may automate operations and scale a large volume of data or calculation. In addition, the authors shorten the time from “learning” to “using” Python through meaningful problem sets in Chapter One.

Author : Christian Hill
Publisher : Cambridge University Press
ISBN 13 : 1009116827
Total Pages : 560 pages
Book Rating : 4.24/5 ( download)

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Download or read book Python for Chemists written by Christian Hill and published by Cambridge University Press. This book was released on 2023-10-26 with total page 560 pages. Available in PDF, EPUB and Kindle. Book excerpt: This accessible and self-contained guide provides a comprehensive introduction to the popular programming language, Python, with a focus on applications in chemistry and chemical physics. End of chapter problems are included throughout, with worked solutions available, and additional resources are provided on a companion website.

Author : Christian Hill
Publisher : Cambridge University Press
ISBN 13 : 1009102044
Total Pages : 559 pages
Book Rating : 4.49/5 ( download)

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Download or read book Python for Chemists written by Christian Hill and published by Cambridge University Press. This book was released on 2023-10-31 with total page 559 pages. Available in PDF, EPUB and Kindle. Book excerpt: Accessible and self-contained guide to the programming language, Python, with a focus on applications in chemistry and chemical physics.

Author : John M. Stewart
Publisher : Cambridge University Press
ISBN 13 : 1316641236
Total Pages : 272 pages
Book Rating : 4.31/5 ( download)

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Download or read book Python for Scientists written by John M. Stewart and published by Cambridge University Press. This book was released on 2017-07-20 with total page 272 pages. Available in PDF, EPUB and Kindle. Book excerpt: Scientific Python is taught from scratch in this book via copious, downloadable, useful and adaptable code snippets. Everything the working scientist needs to know is covered, quickly providing researchers and research students with the skills to start using Python effectively.

Author : Dr. M. Kanagasabapathy
Publisher : BPB Publications
ISBN 13 : 9355517971
Total Pages : 395 pages
Book Rating : 4.75/5 ( download)

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Download or read book Python for Chemistry written by Dr. M. Kanagasabapathy and published by BPB Publications. This book was released on 2023-03-20 with total page 395 pages. Available in PDF, EPUB and Kindle. Book excerpt: A one-stop guide to teach chemists how to use Python for coding and iterations in a hands-on and practical manner KEY FEATURES ● Understand the core Python functions and algorithms for the computation of chemical parameters. ● Learn how to use Cheminformatics modules to process and analyze elemental data and molecular structures. ● Get familiar with the algorithms for numerical and symbolic computations. DESCRIPTION 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. You will also learn about the Structural Elucidation of organic molecules and inorganic complexes with specific Cheminformatics modules. In addition to this, the book covers chemical data analysis with Numpy and also includes topics such as SymPy and Matplotlib for Symbolic calculations and Plotting. By the end of the book, you will be able to use Python as a graphical tool or a calculator for numerical and symbolic computations in the interdisciplinary areas of chemistry. WHAT YOU WILL LEARN ● To fetch elemental, nuclear, atomic or molecular data with list or dictionary functions. ● Understanding the algorithms for the computation of Thermodynamic, Electrochemical, Kinetics, Molecular and Spectral parameters. ● Stoichiometrical calculation of the reactant and product coefficients from Matrices. ● Symbolic computations with reference to Physical Chemistry. ● With Matplotlib package, interpretation and plotting of the analyzed data in the desired graphical format. ● With various cheminformatics modules, correlate the structure of complex and bulkier molecules. WHO THIS BOOK IS FOR This book is for Chemists, Chemical Engineers, Material Scientists, Bio-chemists, Biotechnologists, and Physicists. Students of Chemistry, Chemical Engineering, Materials Chemistry, Biochemistry, Biotechnology, and Physics will find this book resourceful. TABLE OF CONTENTS 1. Understanding Python Functions for Chemistry 2. Computations in Chemistry with NumPy 3. Interpolation, Physico-chemical Constants, and Units with SciPy 4. SymPy for Symbolic Computations in Chemistry 5. Interactive Plotting of Physico-chemical Data with Matplotlib 6. Introduction to Cheminformatics with RDKit 7. ChemFormula for Atomic and Molecular Data 8. Chemlib for Physico-chemical Parameters 9. ChemPy for Computations in Chemistry 10. Mendeleev Package For Atomic and Ionic Data 11. Computations of Parameters of Electrolytes with PyEQL 12. STK Module for Molecular Structures

Author : Ashley Ringer McDonald
Publisher : ACS Symposium
ISBN 13 : 9780841298194
Total Pages : 0 pages
Book Rating : 4.9X/5 ( download)

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Download or read book Teaching Programming Across the Chemistry Curriculum written by Ashley Ringer McDonald and published by ACS Symposium. This book was released on 2022 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Sponsored by the ACS Division of Chemical Education."

Author : John M. Stewart
Publisher : Cambridge University Press
ISBN 13 : 1009034359
Total Pages : 302 pages
Book Rating : 4.57/5 ( download)

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Download or read book Python for Scientists written by John M. Stewart and published by Cambridge University Press. This book was released on 2023-08-17 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt: The third edition of this practical introduction to Python has been thoroughly updated, with all code migrated to Jupyter notebooks. The notebooks are available online with executable versions of all of the book's content (and more). The text starts with a detailed introduction to the basics of the Python language, without assuming any prior knowledge. Building upon each other, the most important Python packages for numerical math (NumPy), symbolic math (SymPy), and plotting (Matplotlib) are introduced, with brand new chapters covering numerical methods (SciPy) and data handling (Pandas). Further new material includes guidelines for writing efficient Python code and publishing code for other users. Simple and concise code examples, revised for compatibility with Python 3, guide the reader and support the learning process throughout the book. Readers from all of the quantitative sciences, whatever their background, will be able to quickly acquire the skills needed for using Python effectively.

Author : Alexander Lancaster
Publisher : Apress
ISBN 13 : 1484245237
Total Pages : 396 pages
Book Rating : 4.31/5 ( download)

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Download or read book Python for the Life Sciences written by Alexander Lancaster and published by Apress. This book was released on 2019-09-27 with total page 396 pages. Available in PDF, EPUB and Kindle. Book excerpt: Treat yourself to a lively, intuitive, and easy-to-follow introduction to computer programming in Python. The book was written specifically for biologists with little or no prior experience of writing code - with the goal of giving them not only a foundation in Python programming, but also the confidence and inspiration to start using Python in their own research. Virtually all of the examples in the book are drawn from across a wide spectrum of life science research, from simple biochemical calculations and sequence analysis, to modeling the dynamic interactions of genes and proteins in cells, or the drift of genes in an evolving population. Best of all, Python for the Life Sciences shows you how to implement all of these projects in Python, one of the most popular programming languages for scientific computing. If you are a life scientist interested in learning Python to jump-start your research, this is the book for you. What You'll Learn Write Python scripts to automate your lab calculations Search for important motifs in genome sequences Use object-oriented programming with Python Study mining interaction network data for patterns Review dynamic modeling of biochemical switches Who This Book Is For Life scientists with little or no programming experience, including undergraduate and graduate students, postdoctoral researchers in academia and industry, medical professionals, and teachers/lecturers. “A comprehensive introduction to using Python for computational biology... A lovely book with humor and perspective” -- John Novembre, Associate Professor of Human Genetics, University of Chicago and MacArthur Fellow “Fun, entertaining, witty and darn useful. A magical portal to the big data revolution” -- Sandro Santagata, Assistant Professor in Pathology, Harvard Medical School “Alex and Gordon’s enthusiasm for Python is contagious” -- Glenys Thomson Professor of Integrative Biology, University of California, Berkeley

Author : Robert Lochhead
Publisher : American Chemical Society
ISBN 13 : 0841299439
Total Pages : 293 pages
Book Rating : 4.36/5 ( download)

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Download or read book Cosmetic Chemistry written by Robert Lochhead and published by American Chemical Society. This book was released on 2022-12-20 with total page 293 pages. Available in PDF, EPUB and Kindle. Book excerpt: Cosmetic Chemistry is a concise, readable review of the principles of cosmetic science. The author connects theory to real life examples, stories, and anecdotes, making key concepts and phenomena much easier to understand. Topics covered are product types in the market and how their properties emerge from the product’s chemical components; physical phenomena, and (macro)molecular characteristics that play a key role in product development; and some of the technological, environmental, and safety challenges that field experts are searching for solutions. Readers include anyone looking for a basic understanding of concepts involved in the development of cosmetics. Upon completion of this digital primer, a chemist will have a firm gasp of the scientific principles that underpin the functionality and aesthetic attributes of formulated compositions.

Author : Jon Paul Janet
Publisher : American Chemical Society
ISBN 13 : 0841299005
Total Pages : 189 pages
Book Rating : 4.09/5 ( download)

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Download or read book Machine Learning in Chemistry written by Jon Paul Janet and published by American Chemical Society. This book was released on 2020-05-28 with total page 189 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent advances in machine learning or artificial intelligence for vision and natural language processing that have enabled the development of new technologies such as personal assistants or self-driving cars have brought machine learning and artificial intelligence to the forefront of popular culture. The accumulation of these algorithmic advances along with the increasing availability of large data sets and readily available high performance computing has played an important role in bringing machine learning applications to such a wide range of disciplines. Given the emphasis in the chemical sciences on the relationship between structure and function, whether in biochemistry or in materials chemistry, adoption of machine learning by chemistsderivations where they are important