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Author: Kiyoto Aramis Tanemura
Publisher: American Chemical Society
ISBN: 0841299250
Category : Science
Languages : en
Pages : 263
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Book Description
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: Kiyoto Aramis Tanemura
Publisher: American Chemical Society
ISBN: 0841299250
Category : Science
Languages : en
Pages : 263
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Book Description
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: John M. Stewart
Publisher: Cambridge University Press
ISBN: 1316641236
Category : Computers
Languages : en
Pages : 272
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Book Description
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: Ashley Ringer McDonald
Publisher: ACS Symposium
ISBN: 9780841298194
Category : Computers
Languages : en
Pages : 0
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Book Description
"Sponsored by the ACS Division of Chemical Education."
Author: Thorsten Gressling
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 3110629453
Category : Technology & Engineering
Languages : en
Pages : 540
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Book Description
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.
Author: Charles M. Quinn
Publisher: Elsevier
ISBN: 0080488536
Category : Science
Languages : en
Pages : 246
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Book Description
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.
Author: Bill Lubanovic
Publisher: "O'Reilly Media, Inc."
ISBN: 1492051322
Category : Computers
Languages : en
Pages : 634
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Book Description
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.
Author: Juan Nunez-Iglesias
Publisher: "O'Reilly Media, Inc."
ISBN: 1491922958
Category : Computers
Languages : en
Pages : 277
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Book Description
Welcome to Scientific Python and its community. If you’re a scientist who programs with Python, this practical guide not only teaches you the fundamental parts of SciPy and libraries related to it, but also gives you a taste for beautiful, easy-to-read code that you can use in practice. You’ll learn how to write elegant code that’s clear, concise, and efficient at executing the task at hand. Throughout the book, you’ll work with examples from the wider scientific Python ecosystem, using code that illustrates principles outlined in the book. Using actual scientific data, you’ll work on real-world problems with SciPy, NumPy, Pandas, scikit-image, and other Python libraries. Explore the NumPy array, the data structure that underlies numerical scientific computation Use quantile normalization to ensure that measurements fit a specific distribution Represent separate regions in an image with a Region Adjacency Graph Convert temporal or spatial data into frequency domain data with the Fast Fourier Transform Solve sparse matrix problems, including image segmentations, with SciPy’s sparse module Perform linear algebra by using SciPy packages Explore image alignment (registration) with SciPy’s optimize module Process large datasets with Python data streaming primitives and the Toolz library
Author: Joakim Sundnes
Publisher:
ISBN: 3030503569
Category : Computer programming
Languages : en
Pages : 157
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Book Description
This open access book offers an initial introduction to programming for scientific and computational applications using the Python programming language. The presentation style is compact and example-based, making it suitable for students and researchers with little or no prior experience in programming. The book uses relevant examples from mathematics and the natural sciences to present programming as a practical toolbox that can quickly enable readers to write their own programs for data processing and mathematical modeling. These tools include file reading, plotting, simple text analysis, and using NumPy for numerical computations, which are fundamental building blocks of all programs in data science and computational science. At the same time, readers are introduced to the fundamental concepts of programming, including variables, functions, loops, classes, and object-oriented programming. Accordingly, the book provides a sound basis for further computer science and programming studies.
Author: Hugh M. Cartwright
Publisher: Royal Society of Chemistry
ISBN: 1788017897
Category : Science
Languages : en
Pages : 564
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Book Description
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.
Author: Alex Gezerlis
Publisher: Cambridge University Press
ISBN: 1009303856
Category : Computers
Languages : en
Pages : 705
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Book Description
A standalone text on computational physics combining idiomatic Python, foundational numerical methods, and physics applications.
