Python For Chemistry
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Python For Chemists
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Author : Kiyoto Aramis Tanemura
language : en
Publisher: American Chemical Society
Release Date : 2022-08-24
Python For Chemists written by Kiyoto Aramis Tanemura and has been published by American Chemical Society this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-08-24 with Science categories.
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.
Teaching Programming Across The Chemistry Curriculum
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Author : Ashley Ringer McDonald
language : en
Publisher: ACS Symposium
Release Date : 2022
Teaching Programming Across The Chemistry Curriculum written by Ashley Ringer McDonald and has been published by ACS Symposium this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022 with Computers categories.
"Sponsored by the ACS Division of Chemical Education."
Python For Chemistry
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Author : Dr. M. Kanagasabapathy
language : en
Publisher: BPB Publications
Release Date : 2023-03-20
Python For Chemistry written by Dr. M. Kanagasabapathy and has been published by BPB Publications this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-03-20 with Computers categories.
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
Chemical And Biomedical Engineering Calculations Using Python
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Author : Jeffrey J. Heys
language : en
Publisher: John Wiley & Sons
Release Date : 2017-01-10
Chemical And Biomedical Engineering Calculations Using Python written by Jeffrey J. Heys and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-01-10 with Technology & Engineering categories.
Presents standard numerical approaches for solving common mathematical problems in engineering using Python. Covers the most common numerical calculations used by engineering students Covers Numerical Differentiation and Integration, Initial Value Problems, Boundary Value Problems, and Partial Differential Equations Focuses on open ended, real world problems that require students to write a short report/memo as part of the solution process Includes an electronic download of the Python codes presented in the book
Computational Quantum Chemistry
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Author : Charles M. Quinn
language : en
Publisher: Elsevier
Release Date : 2002-02-28
Computational Quantum Chemistry written by Charles M. Quinn and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2002-02-28 with Science categories.
Computational Quantum Chemistry removes much of the mystery of modern computer programs for molecular orbital calculations by showing how to develop Excel spreadsheets to perform model calculations and investigate the properties of basis sets. Using the book together with the CD-ROM provides a unique interactive learning tool. In addition, because of the integration of theory with working examples on the CD-ROM, the reader can apply advanced features available in the spreadsheet to other applications in chemistry, physics, and a variety of disciplines that require the solution of differential equations.This book and CD-ROM makes a valuable companion for instructors, course designers, and students. It is suitable for direct applications in practical courses in theoretical chemistry and atomic physics, as well as for teaching advanced features of Excel in IT courses.
Python For Chemists
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Author : Christian Hill
language : en
Publisher: Cambridge University Press
Release Date : 2023-10-26
Python For Chemists written by Christian Hill and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-10-26 with Science categories.
Accessible and self-contained guide to the programming language, Python, with a focus on applications in chemistry and chemical physics.
Data Science In Chemistry
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Author : Thorsten Gressling
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2020-11-23
Data Science In Chemistry written by Thorsten Gressling and has been published by Walter de Gruyter GmbH & Co KG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-11-23 with Technology & Engineering categories.
The ever-growing wealth of information has led to the emergence of a fourth paradigm of science. This new field of activity – data science – includes computer science, mathematics and a given specialist domain. This book focuses on chemistry, explaining how to use data science for deep insights and take chemical research and engineering to the next level. It covers modern aspects like Big Data, Artificial Intelligence and Quantum computing.
Machine Learning In Chemistry
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Author : Hugh M. Cartwright
language : en
Publisher: Royal Society of Chemistry
Release Date : 2020-07-15
Machine Learning In Chemistry written by Hugh M. Cartwright and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-07-15 with Science categories.
Progress in the application of machine learning (ML) to the physical and life sciences has been rapid. A decade ago, the method was mainly of interest to those in computer science departments, but more recently ML tools have been developed that show significant potential across wide areas of science. There is a growing consensus that ML software, and related areas of artificial intelligence, may, in due course, become as fundamental to scientific research as computers themselves. Yet a perception remains that ML is obscure or esoteric, that only computer scientists can really understand it, and that few meaningful applications in scientific research exist. This book challenges that view. With contributions from leading research groups, it presents in-depth examples to illustrate how ML can be applied to real chemical problems. Through these examples, the reader can both gain a feel for what ML can and cannot (so far) achieve, and also identify characteristics that might make a problem in physical science amenable to a ML approach. This text is a valuable resource for scientists who are intrigued by the power of machine learning and want to learn more about how it can be applied in their own field.
Introducing Python
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Author : Bill Lubanovic
language : en
Publisher: O'Reilly Media
Release Date : 2019-11-06
Introducing Python written by Bill Lubanovic and has been published by O'Reilly Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-11-06 with Computers categories.
Easy to understand and fun to read, this updated edition of Introducing Python is ideal for beginning programmers as well as those new to the language. Author Bill Lubanovic takes you from the basics to more involved and varied topics, mixing tutorials with cookbook-style code recipes to explain concepts in Python 3. End-of-chapter exercises help you practice what you’ve learned. You’ll gain a strong foundation in the language, including best practices for testing, debugging, code reuse, and other development tips. This book also shows you how to use Python for applications in business, science, and the arts, using various Python tools and open source packages.
Coding For Kids Python
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Author : Adrienne B. Tacke
language : en
Publisher: Sourcebooks, Inc.
Release Date : 2019-03-19
Coding For Kids Python written by Adrienne B. Tacke and has been published by Sourcebooks, Inc. this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-03-19 with Juvenile Nonfiction categories.
Games and activities that teach kids ages 10+ to code with Python Learning to code isn't as hard as it sounds—you just have to get started! Coding for Kids: Python starts kids off right with 50 fun, interactive activities that teach them the basics of the Python programming language. From learning the essential building blocks of programming to creating their very own games, kids will progress through unique lessons packed with helpful examples—and a little silliness! Kids will follow along by starting to code (and debug their code) step by step, seeing the results of their coding in real time. Activities at the end of each chapter help test their new knowledge by combining multiple concepts. For young programmers who really want to show off their creativity, there are extra tricky challenges to tackle after each chapter. All kids need to get started is a computer and this book. This beginner's guide to Python for kids includes: 50 Innovative exercises—Coding concepts come to life with game-based exercises for creating code blocks, drawing pictures using a prewritten module, and more. Easy-to-follow guidance—New coders will be supported by thorough instructions, sample code, and explanations of new programming terms. Engaging visual lessons—Colorful illustrations and screenshots for reference help capture kids' interest and keep lessons clear and simple. Encourage kids to think independently and have fun learning an amazing new skill with this coding book for kids.