Python For Chemists
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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 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.
Python For Scientists
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Author : John M. Stewart
language : en
Publisher: Cambridge University Press
Release Date : 2017-07-20
Python For Scientists written by John M. Stewart 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 2017-07-20 with Computers categories.
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.
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.
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.
Numerical Methods In Physics With Python
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Author : Alex Gezerlis
language : en
Publisher: Cambridge University Press
Release Date : 2023-07-20
Numerical Methods In Physics With Python written by Alex Gezerlis 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 2023-07-20 with Computers categories.
A standalone text on computational physics combining idiomatic Python, foundational numerical methods, and physics applications.
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.
Handbook Of Computational Quantum Chemistry
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Author : David B. Cook
language : en
Publisher: Courier Corporation
Release Date : 2005-08-02
Handbook Of Computational Quantum Chemistry written by David B. Cook and has been published by Courier Corporation this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005-08-02 with Science categories.
This comprehensive text provides upper-level undergraduates and graduate students with an accessible introduction to the implementation of quantum ideas in molecular modeling, exploring practical applications alongside theoretical explanations. Topics include the Hartree-Fock method; matrix SCF equations; implementation of the closed-shell case; introduction to molecular integrals; and much more. 1998 edition.