Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile

Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile PDF

Author: Sadasivan Shankar

Publisher: Springer Nature

Published: 2021-01-25

Total Pages: 1344

ISBN-13: 3030187780

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This book provides a broad and nuanced overview of the achievements and legacy of Professor William (“Bill”) Goddard in the field of computational materials and molecular science. Leading researchers from around the globe discuss Goddard’s work and its lasting impacts, which can be seen in today’s cutting-edge chemistry, materials science, and biology techniques. Each section of the book closes with an outline of the prospects for future developments. In the course of a career spanning more than 50 years, Goddard’s seminal work has led to dramatic advances in a diverse range of science and engineering fields. Presenting scientific essays and reflections by students, postdoctoral associates, collaborators and colleagues, the book describes the contributions of one of the world’s greatest materials and molecular scientists in the context of theory, experimentation, and applications, and examines his legacy in each area, from conceptualization (the first mile) to developments and extensions aimed at applications, and lastly to de novo design (the last mile). Goddard’s passion for science, his insights, and his ability to actively engage with his collaborators in bold initiatives is a model for us all. As he enters his second half-century of scientific research and education, this book inspires future generations of students and researchers to employ and extend these powerful techniques and insights to tackle today’s critical problems in biology, chemistry, and materials. Examples highlighted in the book include new materials for photocatalysts to convert water and CO2 into fuels, novel catalysts for the highly selective and active catalysis of alkanes to valuable organics, simulating the chemistry in film growth to develop two-dimensional functional films, and predicting ligand–protein binding and activation to enable the design of targeted drugs with minimal side effects.

Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile

Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile PDF

Author: Sadasivan Shankar

Publisher:

Published: 2021

Total Pages: 0

ISBN-13: 9783030187798

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This book provides a broad and nuanced overview of the achievements and legacy of Professor William ("Bill") Goddard in the field of computational materials and molecular science. Leading researchers from around the globe discuss Goddard's work and its lasting impacts, which can be seen in today's cutting-edge chemistry, materials science, and biology techniques. Each section of the book closes with an outline of the prospects for future developments. In the course of a career spanning more than 50 years, Goddard's seminal work has led to dramatic advances in a diverse range of science and engineering fields. Presenting scientific essays and reflections by students, postdoctoral associates, collaborators and colleagues, the book describes the contributions of one of the world's greatest materials and molecular scientists in the context of theory, experimentation, and applications, and examines his legacy in each area, from conceptualization (the first mile) to developments and extensions aimed at applications, and lastly to de novo design (the last mile). Goddard's passion for science, his insights, and his ability to actively engage with his collaborators in bold initiatives is a model for us all. As he enters his second half-century of scientific research and education, this book inspires future generations of students and researchers to employ and extend these powerful techniques and insights to tackle today's critical problems in biology, chemistry, and materials. Examples highlighted in the book include new materials for photocatalysts to convert water and CO2 into fuels, novel catalysts for the highly selective and active catalysis of alkanes to valuable organics, simulating the chemistry in film growth to develop two-dimensional functional films, and predicting ligand-protein binding and activation to enable the design of targeted drugs with minimal side effects.

Computational Materials Chemistry

Computational Materials Chemistry PDF

Author: L.A. Curtiss

Publisher: Springer Science & Business Media

Published: 2004-05-26

Total Pages: 392

ISBN-13: 9781402017674

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This volume illustrates the contributions that modern techniques in simulation and modeling can make to materials chemistry research and the level of accuracy achievable. While new developments in simulation and modeling are discussed to some extent, the major emphasis is on applications to materials chemistry including in areas of surface chemistry, solid state chemistry, polymer chemistry and nanoscience. The phenomenal improvement in both theoretical methods and computer technology have made it possible for computational chemistry to achieve a new level of chemical accuracy that is providing significant insight into the effect of chemical reactivity on the behavior of materials and helping to design new materials. Audience: Researchers, teachers, and students in chemistry and physics.

Strengthening Forensic Science in the United States

Strengthening Forensic Science in the United States PDF

Author: National Research Council

Publisher: National Academies Press

Published: 2009-07-29

Total Pages: 348

ISBN-13: 0309142393

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Scores of talented and dedicated people serve the forensic science community, performing vitally important work. However, they are often constrained by lack of adequate resources, sound policies, and national support. It is clear that change and advancements, both systematic and scientific, are needed in a number of forensic science disciplines to ensure the reliability of work, establish enforceable standards, and promote best practices with consistent application. Strengthening Forensic Science in the United States: A Path Forward provides a detailed plan for addressing these needs and suggests the creation of a new government entity, the National Institute of Forensic Science, to establish and enforce standards within the forensic science community. The benefits of improving and regulating the forensic science disciplines are clear: assisting law enforcement officials, enhancing homeland security, and reducing the risk of wrongful conviction and exoneration. Strengthening Forensic Science in the United States gives a full account of what is needed to advance the forensic science disciplines, including upgrading of systems and organizational structures, better training, widespread adoption of uniform and enforceable best practices, and mandatory certification and accreditation programs. While this book provides an essential call-to-action for congress and policy makers, it also serves as a vital tool for law enforcement agencies, criminal prosecutors and attorneys, and forensic science educators.

Materials Chemistry

Materials Chemistry PDF

Author: Bradley D. Fahlman

Publisher: Springer

Published: 2018-08-28

Total Pages: 815

ISBN-13: 9402412557

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The 3rd edition of this successful textbook continues to build on the strengths that were recognized by a 2008 Textbook Excellence Award from the Text and Academic Authors Association (TAA). Materials Chemistry addresses inorganic-, organic-, and nano-based materials from a structure vs. property treatment, providing a suitable breadth and depth coverage of the rapidly evolving materials field — in a concise format. The 3rd edition offers significant updates throughout, with expanded sections on sustainability, energy storage, metal-organic frameworks, solid electrolytes, solvothermal/microwave syntheses, integrated circuits, and nanotoxicity. Most appropriate for Junior/Senior undergraduate students, as well as first-year graduate students in chemistry, physics, or engineering fields, Materials Chemistry may also serve as a valuable reference to industrial researchers. Each chapter concludes with a section that describes important materials applications, and an updated list of thought-provoking questions.

Holographic Sensors

Holographic Sensors PDF

Author: Ali Kemal Yetisen

Publisher: Springer

Published: 2014-12-03

Total Pages: 162

ISBN-13: 3319135848

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This thesis presents a theoretical and experimental approach for the rapid fabrication, optimization and testing of holographic sensors for the quantification of pH, organic solvents, metal cations, and glucose in solutions. Developing non-invasive and reusable diagnostics sensors that can be easily manufactured will support the monitoring of high-risk individuals in any clinical or point-of-care setting. Sensor fabrication approaches outlined include silver-halide chemistry, laser ablation and photopolymerization. The sensors employ off-axis Bragg diffraction gratings of ordered silver nanoparticles and localized refractive index changes in poly (2-hydroxyethyl methacrylate) and polyacrylamide films. The sensors exhibited reversible Bragg peak shifts, and diffracted the spectrum of narrow-band light over the wavelength range λpeak ≈ 495-1100 nm. Clinical trials of glucose sensors in the urine samples of diabetic patients demonstrated that they offer superior performance compared to commercial high-throughput urinalysis devices. Lastly, a generic smartphone application to quantify colorimetric tests was developed and tested for both Android and iOS operating systems. The sensing platform and smartphone application may have implications for the development of low-cost, reusable and equipment-free point-of-care diagnostic devices.

Out Of Control

Out Of Control PDF

Author: Kevin Kelly

Publisher: Basic Books

Published: 2009-04-30

Total Pages: 528

ISBN-13: 078674703X

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Out of Control chronicles the dawn of a new era in which the machines and systems that drive our economy are so complex and autonomous as to be indistinguishable from living things.

Molecular Modeling and Simulation

Molecular Modeling and Simulation PDF

Author: Tamar Schlick

Publisher: Springer Science & Business Media

Published: 2013-04-18

Total Pages: 669

ISBN-13: 0387224645

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Very broad overview of the field intended for an interdisciplinary audience; Lively discussion of current challenges written in a colloquial style; Author is a rising star in this discipline; Suitably accessible for beginners and suitably rigorous for experts; Features extensive four-color illustrations; Appendices featuring homework assignments and reading lists complement the material in the main text