Computational Materials Science: An Introduction 2nd Edition
This book covers the essentials of Computational Science and gives tools and techniques to solve materials science problems using molecular dynamics (MD) and first-principles methods. The new edition expands upon the density functional theory (DFT) and how the original DFT has advanced to a more accurate level by GGA U and hybrid-functional methods. It offers 14 new worked examples in the LAMMPS, Quantum Espresso, VASP and MedeA-VASP programs, including computation of stress-strain behavior of Si-CNT composite, mean-squared displacement (MSD) of ZrO2-Y2O3, band structure and phonon spectra of silicon, and Mo-S battery system. It discusses methods once considered too expensive but that are now cost-effective. New examples also include various post-processed results using VESTA, VMD, VTST, and MedeA.
About the Author
June Gunn Lee is an emeritus research fellow in the Computational Science Center at the Korea Institute of Science and Technology, where he has worked for 28 years. Currently, he is also lecturing at the University of Seoul. He has published about 70 papers on engineering ceramics and computational materials science. He received his M.S. and Ph.D. in Materials Science and Engineering from the University of Utah, U.S.A.
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This Cengage Technology Edition is the result of an innovative and collaborative development process. The textbook retains the hallmark approach of this respected text, whilst presenting the content in a print and digital hybrid that has been tailored to meet the rapidly developing demands of today’s lecturers and students. This blended solution offers a streamlined textbook for greater accessibility and convenience, complemented by a bolstered online presence, for a truly multi-faceted learning experience. Continuing Garrett and Grisham’s innovative conceptual and organizing ‘Essential Questions’ framework, Biochemistry, Cengage Technology Edition 5e, guides students through course concepts in a way that reveals the beauty and usefulness of biochemistry in the everyday world. Offering a balanced and streamlined presentation, this edition has been updated throughout with new material and revised presentations. For the first time, this book is integrated with OWL, a powerful online learning system for chemistry that engages students and improves learning outcomes.
About the Author
Reginald H. Garrett was educated in the Baltimore city public schools and at the Johns Hopkins University, where he received his Ph.D. in biology in 1968. Since that time, he has conducted research and taught biochemistry courses at the University of Virginia, where he is currently Professor of Biology. He is the author of numerous papers and review articles on biochemical, genetic, and molecular biological aspects of inorganic nitrogen metabolism. His early research focused on the pathway of nitrate assimilation in filamentous fungi. His investigations contributed substantially to our understanding of the enzymology, genetics, and regulation of this major pathway of biological nitrogen acquisition. More recently, he has collaborated in systems approaches to the metabolic basis of nutrition-related diseases. His research has been supported by grants from the National Institutes of Health, the National Science Foundation, and private industry. A member of the American Society for Biochemistry and Molecular Biology, Garrett is a former Fulbright Scholar, was twice Visiting Scholar at the University of Cambridge, and was Invited Professor at the University of Toulouse, France. Charles M. Grisham received his B.S. in chemistry from the Illinois Institute of Technology in 1969 and his Ph.D. in chemistry from the University of Minnesota in 1973. Following a postdoctoral appointment at the Institute for Cancer Research in Philadelphia, he became Professor of Chemistry at the University of Virginia, where he teaches biochemistry, introductory chemistry, and physical chemistry. He has authored numerous papers and review articles on active transport of sodium, potassium, and calcium in mammalian systems, on protein kinase C, and on the applications of NMR and EPR spectroscopy to the study of biological systems. His work has been supported by the National Institutes of Health, the National Science Foundation, the Muscular Dystrophy Association of America, the Research Corporation, the American Heart Association and the American Chemical Society. A member of the American Society for Biochemistry and Molecular Biology, Grisham held the Knapp Chair in Chemistry in 1999 at the University of San Diego; was Visiting Scientist at the Aarhus University Institute of Physiology, Aarhus, Denmark, for two years; and received a Research Career Development Award from the National Institutes of Health.
Providing an excellent compilation of the most important and useful methods of modern stereoselective synthesis, this book features illustrative examples of drug and natural product syntheses, resulting in a rich source of stimulating ideas for the efficient use of asymmetric reactions in the users’ own synthesis. The authors adopt a novel approach in not attempting to present this rapidly developing area in its entirety, but to distill the truly groundbreaking reactions that should be in the repertoire of every synthetic organic chemist.
About the Author
Erick M. Carreira, born in La Habana, Cuba, obtained a B.S. degree in 1984 from the University of Illinois at Urbana Champaign under the supervision of Scott E. Denmark, and a PhD in 1990 from Harvard University under the supervision of David A. Evans. After carrying out postdoctoral work with Peter Dervan at the California Institute of Technology through mid-1992, he joined the faculty at the same institution as an assistant professor of chemistry and was promoted to full professor in 1997. In 1998, he moved to the Laboratory of Organic Chemistry at the ETH-Zurich, Switzerland. He has over 180 research publications and numerous patents to his name. He is the recipient of, among others, the American Chemical Society Award in Pure Chemistry the Nobel Laureate Signature Award, and he has held the David and Lucile Packard Foundation Fellowship in Science and Engineering as well as the Tetrahedron Chair Prize. Professor Carreira’s research program is focused on the four interrelated areas of organic synthesis: catalysis, methodology, natural products synthesis, and bioorganic chemistry. Lisbet Kvaerno, born in Denmark, received her M.Sc. in chemistry from the University of Copenhagen under Prof. Jesper Wengel. She obtained her PhD in 2004 after working in total synthesis at the Technical University of Denmark under Prof. David Tanner and in medicinal chemistry at the ETH Zurich supervised by Prof. Erick M. Carreira. As a postdoctoral fellow in the research group of Prof. David A. Evans at Harvard University, she completed the total synthesis of the marine natural product ( )-azaspiracid. After a brief period as an independent junior group leader at the Max Planck Institute of Coal Research in Muelheim, Germany, she joined Lundbeck in Copenhagen as a process chemist in the late summer of 2008.
For one-semester courses in General, Organic, and Biological Chemistry Show the importance of chemistry in the real world Chemistry: An Introduction to General, Organic, and Biological Chemistry, Twelfth Edition is the ideal resource for today’s allied health students. Assuming no prior knowledge of chemistry, author Karen Timberlake engages students through her friendly presentation style and reveals connections between the structure and behavior of matter and its role in health and the environment. With a renewed focus on problem-solving skills, the Twelfth Edition encourages active learning through the new, interactive Pearson eText enhanced with media within MasteringChemistry. New Interactive Videos, Sample Calculations, ‘Problem Solving in Allied Health’ Tutorials, and Dynamic Study Modules bring chemistry to life and walk students through different approaches to problem solving, providing remediation where needed. This program provides a better teaching and learning experience-for you and your students. It will help you to: * Personalize learning with MasteringChemistry(R): This online homework, tutorial, and assessment program helps students master core concepts and problem-solving skills, thus freeing up time in the classroom for instructors to focus on complex topics. * Show the relevance of chemistry through real-world examples: Activities and applications throughout the program couple chemistry concepts with health and environmental career applications to help students understand why course content matters. * Foster development of problem-solving skills: The program introduces a variety of clear problem-solving strategies early in the text that are reinforced through Allied Health Tutorials in MasteringChemistry and revisited when needed. * Help students visualize and understand concepts: The text’s engaging visual features, including macro-to-micro illustrations, a rich photographic program, and concept maps, help students understand chemistry by seeing chemistry. Note: You are purchasing a standalone product; MasteringChemistry does not come packaged with this content. If you would like to purchase both the physical text and MasteringChemistry search for ISBN-10: 0321907140 / ISBN-13: 9780321907141. That package includes ISBN-10: 0321908449 /ISBN-13: 9780321908445 and ISBN-10: 0321909240 / ISBN-13: 9780321909244. MasteringChemistry is not a self-paced technology and should only be purchased when required by an instructor.
About the Author
Karen Timberlake is Professor Emerita of chemistry at Los Angeles Valley College, where she taught chemistry for allied health and preparatory chemistry for 36 years. She received her bachelor’s degree in chemistry from the University of Washington and her master’s degree in biochemistry from the University of California at Los Angeles. Professor Timberlake has been writing chemistry textbooks for 35 years. During that time, her name has become associated with the strategic use of pedagogical tools that promote student success in chemistry and the application of chemistry to real-life situations. More than one million students have learned chemistry using texts, laboratory manuals, and study guides written by Karen Timberlake. In addition to Basic Chemistry, Fourth Edition, she is also the author of General, Organic, and Biological Chemistry: Structures of Life, Fourth Edition, and Chemistry: An Introduction to General, Organic, and Biological Chemistry, Eleventh Edition with the accompanying Study Guide, Selected Solutions Manual, Laboratory Manual, and Essential Laboratory Manual. Professor Timberlake belongs to numerous science and educational organizations including the American Chemical Society (ACS) and the National Science Teachers Association (NSTA). She was the Western Regional Winner of Excellence in College Chemistry Teaching Award given by the Chemical Manufacturers Association. In 2004, she received the McGuffey Award in Physical Sciences from the Text and Academic Authors Association for her textbook Chemistry: An Introduction to General, Organic, and Biological Chemistry, eight edition, which has demonstrated excellence over time. In 2006, she received the Textbook excellence award for the first edition of Basic Chemistry. She has participated in education grants for science teaching including the Los Angeles Collaborative for Teaching Excellence (LACTE) and a Title III grant at her college. She speaks at conferences and educational meetings on the use of student-centered teaching methods in chemistry to promote learning success of students.
A comprehensive and up-to-date overview of alkyne chemistry, taking into account the progress made over the last two decades. The experienced editors are renowned world leaders in the field, while the list of contributors reads like a “Who?s Who” of synthetic organic chemistry. The result is a valuable reference not only for organic chemists at universities and in the chemical industry, but also for biologists and material scientists involved in the modern synthesis of organic compounds and materials.
About the Author
Professor Barry M. Trost obtained a Ph.D. at the Massachusetts Institute of Technology (Cambridge, USA) and directly moved to the University of Wisconsin (USA) where he was promoted to Professor of Chemistry in 1969 and subsequently became the Vilas Research Professor in 1982. He joined the faculty at Stanford (USA) as Professor of Chemistry in 1987 and became Tamaki Professor of Humanities and Sciences in 1990. Professor Trost has received a number of awards, including the ACS Award in Pure Chemistry (1977), the ACS Award for Creative Work in Synthetic Organic Chemistry (1981), the Alexander von Humboldt Stiftung Award (1984), Arthur C. Cope Scholar Award (1989), the Belgian Organic Synthesis Symposium Elsevier Award (2000), the Nichols Medal (2000), the Yamada Prize (2001), the ACS Cope Award (2004), and the Nagoya Medal (2008). Professor Trost has been elected a Fellow of the American Academy of Sciences (1982) and a member of the National Academy of Sciences (1980). He has served as editor and on the editorial board of many books and journals, including being Associate Editor of the “Journal of the American Chemical Society” (1974-80). He has held over 125 special university lectureships and presented over 270 plenary lectures at national and international meetings. He has published two books and over 900 scientific articles. He edited the compendium “Comprehensive Organic Synthesis” consisting of nine volumes and serves on the editorial board for the reference databases “Science of Synthesis” (Thieme) and “Reaxys” (Elsevier). Professor Chao-Jun Li received his Ph.D at McGill University (Montreal, Canada) and did a NSERC Postdoctoral Fellow at Stanford University (USA). He was on the faculty at Tulane University (New Orleans, USA) until 2003. Since 2003, he has been at McGill University where he currently holds a Canada Research Chair (in Green Chemistry) and an E. B. Eddy Chair Professorship. He has published over 300 scientific publications and received numerous awards including the US Presidential Green Chemistry Challenge Award and the Canadian Green Chemistry and Engineering Award. He is a Fellow of the Royal Society of Canada (Academy of Science) and is an Associate Editor for “Green Chemistry” of the Royal Society of Chemistry (UK).