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Python For Chemists
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Book Synopsis Python for Chemists by : Kiyoto Aramis Tanemura
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.
Book Synopsis Python for Chemists by : Christian Hill
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.
Book Synopsis Python for Chemists by : Christian Hill
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.
Book Synopsis Python for Chemistry by : Dr. M. Kanagasabapathy
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
Book Synopsis Python for Scientists by : John M. Stewart
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.
Book Synopsis Python for the Life Sciences by : Alexander Lancaster
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
Book Synopsis Cosmetic Chemistry by : Robert Lochhead
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.
Book Synopsis Machine Learning in Chemistry by : Jon Paul Janet
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
Book Synopsis Aerosols in Atmospheric Chemistry by : Yue Zhang
Download or read book Aerosols in Atmospheric Chemistry written by Yue Zhang and published by American Chemical Society. This book was released on 2022-04-01 with total page 176 pages. Available in PDF, EPUB and Kindle. Book excerpt: The uncertainties in the aerosol effects on radiative forcing limit our knowledge of climate change, presenting us with an important research challenge. Aerosols in Atmospheric Chemistry introduces basic concepts about the characterization, formation, and impacts of ambient aerosol particles as an introduction to graduate students new to the field. Each chapter also provides an up-to-date synopsis of the latest knowledge of aerosol particles in atmospheric chemistry.
Book Synopsis Techniques in Electroanalytical Chemistry by : Olja Simoska
Download or read book Techniques in Electroanalytical Chemistry written by Olja Simoska and published by American Chemical Society. This book was released on 2022-06-07 with total page 216 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electrochemical science as a field is growing at a tremendous rate. It was central to the emergence of chemistry as a discipline through the discovery of elements and is now poised to revolutionize energy, neuroscience, and organic synthesis, among more traditional applications in corrosion prevention. In this brief digital primer the authors introduce selected techniques in electroanalytical chemistry through text, laboratory-based tutorial videos, and data analysis practice problems. This primer is suitable for scientists interested in a brief introduction to the recent advances in electroanalytical chemistry, instructors wanting to supplement an undergraduate or graduate course in instrumental analysis, or the scientist wishing to incorporate electroanalytical techniques into projects to study reaction mechanisms, design energy conversion or energy storage devices, and/or design electrochemical sensors.
Book Synopsis Oxygen: The Key to Stereoelectronic Control in Chemistry by : Igor Alabugin
Download or read book Oxygen: The Key to Stereoelectronic Control in Chemistry written by Igor Alabugin and published by American Chemical Society. This book was released on 2023-05-25 with total page 283 pages. Available in PDF, EPUB and Kindle. Book excerpt: Although carbon is considered the central element of organic chemistry, the broader chemical world has one more star player—oxygen. Billions of years of evolution have filled your room with oxygen as countless cyanobacteria and plants work on changing our planet. Oxygen is everywhere—from geology to biology, from the Earth's crust to the ozone layer. This digital primer aims to analyze chemical reactivity through the prism of oxygen chemistry. The key to understanding this chemistry is the lone pairs of oxygen (i.e., the underutilized "idle" electrons that do not directly contribute to the Lewis structure of molecules). By highlighting the many roles of oxygen, we will illustrate how chemistry rises above the limitations of Lewis structures and how electrons stay neither idle nor "lone" even if they are in "lone pairs" when an oxygen atom is near a reaction center. This digital primer will introduce important types of chemical bonding that transcend undergraduate textbooks but that are likely to drive the development of new chemical reactions in the future.
Book Synopsis Chemistry of Indoor Air Pollution by : Azin Eftekhari
Download or read book Chemistry of Indoor Air Pollution written by Azin Eftekhari and published by American Chemical Society. This book was released on 2023-07-05 with total page 152 pages. Available in PDF, EPUB and Kindle. Book excerpt: Indoor air pollution is a growing concern as people spend more time indoors. Evaluating indoor air quality (IAQ) is complex because numerous processes affect IAQ. Indoor chemistry also has unique features compared to outdoor atmospheric chemistry. This digital primer is intended to provide an overview of indoor air pollutants and how indoor chemistry affects the concentrations of pollutants. It covers many topics, including the latest research on measurement techniques, modeling approaches, and strategies for controlling pollutants. Overall, this primer provides a valuable resource for scientists interested in understanding and controlling indoor air pollution and chemical reactions. The authors hope that the information presented in this primer will help improve IAQ and promote a healthier indoor environment.
Book Synopsis Geologic Conditions for Prebiotic Chemistry by : Matthew Pasek
Download or read book Geologic Conditions for Prebiotic Chemistry written by Matthew Pasek and published by American Chemical Society. This book was released on 2023-04-11 with total page 125 pages. Available in PDF, EPUB and Kindle. Book excerpt: The scientific exploration of the origins of life is a multidisciplinary and interdisciplinary field, with information from sources such as biology, geology, astronomy, physics, planetary science, and chemistry. Chemistry is specifically well-oriented to provide an understanding of how life arose since life is primarily a materialistic phenomenon, in which chemicals react in a certain way through the addition of physicochemical energy.
Book Synopsis Metal Nanocrystals by : Kallum M. Koczkur
Download or read book Metal Nanocrystals written by Kallum M. Koczkur and published by American Chemical Society. This book was released on 2020-07-31 with total page 164 pages. Available in PDF, EPUB and Kindle. Book excerpt: Our society depends heavily on metals. They are ubiquitous construction materials, critical interconnects in integrated circuits, common coinage materials, and more. Excitingly, new uses for metals are emerging with the advent of nanoscience, as metal crystals with nanoscale dimensions can display new and tunable properties. The optical and photothermal properties of metal nanocrystals have led to cancer diagnosis and treatment platforms now in clinical trials, while, at the same time, the ability to tune the surface features of metal nanocrystals is giving rise to designer catalysts that enable more sustainable use of precious resources. These are just two examples of how metal nanocrystals are addressing important social needs.
Book Synopsis Environmental Interfacial Spectroscopy by : Mahamud Subir
Download or read book Environmental Interfacial Spectroscopy written by Mahamud Subir and published by American Chemical Society. This book was released on 2022-04-14 with total page 339 pages. Available in PDF, EPUB and Kindle. Book excerpt: Clarifying chemical processes in the environment is tantamount to creating a better and a safer planet. The chemistry that takes place within the natural world occurs not only in the bulk gaseous, liquid, and solid phases, but also in the region where two phases meet. This molecularly thin region between phases, also known as an interface, plays a significant role in various chemical processes because interfaces are ubiquitous in nature. Despite the significance of interfacial processes in environmental chemistry, investigating environmental interfaces experimentally has always been a challenge. Recent advances in nonlinear spectroscopy (NLS) have demonstrated that techniques such as sum frequency generation (SFG) and second harmonic generation (SHG) are unique in their ability to probe buried chemical interfaces. The theoretical and practical aspect of these techniques in probing environmental interfaces is the primary focus of this e-book. This e-book is geared toward curious and inquisitive minds eager to learn how molecules behave at the thin layers of chemical interfaces. A beautiful world, rich in unique insights into the interfacial environmental processes, awaits.
Book Synopsis Data Science in Chemistry by : Thorsten Gressling
Download or read book Data Science in Chemistry written by Thorsten Gressling and published by Walter de Gruyter GmbH & Co KG. This book was released on 2020-11-23 with total page 442 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Alternative Careers in Science by : Christopher Avery
Download or read book Alternative Careers in Science written by Christopher Avery and published by American Chemical Society. This book was released on 2020-06-30 with total page 142 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book emerged from shared interests and conversations over many years between former Ph.D. chemists, now leaders in science policy and industry who all share a commitment to public service. While the training of Ph.D. chemists is generally targeted at a research career, the opportunities that lie beyond the degree are much more diverse. Nine Ph.D. chemists who chose careers outside of academia describe their career choices and reflect on advice they have looking back on their career path for those just starting theirs. If the stories in these pages speak to you: Welcome to the family.
