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
ISBN: 3030187780
Category : Technology & Engineering
Languages : en
Pages : 1344

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Book Description
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: Springer Nature
ISBN: 3030187780
Category : Technology & Engineering
Languages : en
Pages : 1344

Get Book Here

Book Description
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:
ISBN: 9783030187798
Category :
Languages : en
Pages : 0

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Book Description
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.

Biological Rotary Nanomotors

Biological Rotary Nanomotors PDF Author: Michael Manson
Publisher: Frontiers Media SA
ISBN: 2832505554
Category : Science
Languages : en
Pages : 239

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Book Description


Computational Materials Chemistry

Computational Materials Chemistry PDF Author: L.A. Curtiss
Publisher: Springer Science & Business Media
ISBN: 9781402017674
Category : Science
Languages : en
Pages : 392

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Book Description
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.

Computational Chemistry Methodology in Structural Biology and Materials Sciences

Computational Chemistry Methodology in Structural Biology and Materials Sciences PDF Author: Tanmoy Chakraborty
Publisher:
ISBN: 9781351798624
Category : Chemistry
Languages : en
Pages :

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Book Description


Computational Chemistry

Computational Chemistry PDF Author: Jeffre Evanseck
Publisher: Garland Science
ISBN: 9780815341444
Category : Science
Languages : en
Pages : 736

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Book Description


Holographic Sensors

Holographic Sensors PDF Author: Ali Kemal Yetisen
Publisher: Springer
ISBN: 3319135848
Category : Science
Languages : en
Pages : 175

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Book Description
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.

Molecular Modeling and Simulation

Molecular Modeling and Simulation PDF Author: Tamar Schlick
Publisher: Springer Science & Business Media
ISBN: 0387224645
Category : Science
Languages : en
Pages : 669

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Book Description
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

Biogeochemistry of Wetlands

Biogeochemistry of Wetlands PDF Author: K. Ramesh Reddy
Publisher: CRC Press
ISBN: 0429531931
Category : Science
Languages : en
Pages : 926

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Book Description
The globally important nature of wetland ecosystems has led to their increased protection and restoration as well as their use in engineered systems. Underpinning the beneficial functions of wetlands are a unique suite of physical, chemical, and biological processes that regulate elemental cycling in soils and the water column. This book provides an in-depth coverage of these wetland biogeochemical processes related to the cycling of macroelements including carbon, nitrogen, phosphorus, and sulfur, secondary and trace elements, and toxic organic compounds. In this synthesis, the authors combine more than 100 years of experience studying wetlands and biogeochemistry to look inside the black box of elemental transformations in wetland ecosystems. This new edition is updated throughout to include more topics and provide an integrated view of the coupled nature of biogeochemical cycles in wetland systems. The influence of the elemental cycles is discussed at a range of scales in the context of environmental change including climate, sea level rise, and water quality. Frequent examples of key methods and major case studies are also included to help the reader extend the basic theories for application in their own system. Some of the major topics discussed are: Flooded soil and sediment characteristics Aerobic-anaerobic interfaces Redox chemistry in flooded soil and sediment systems Anaerobic microbial metabolism Plant adaptations to reducing conditions Regulators of organic matter decomposition and accretion Major nutrient sources and sinks Greenhouse gas production and emission Elemental flux processes Remediation of contaminated soils and sediments Coupled C-N-P-S processes Consequences of environmental change in wetlands# The book provides the foundation for a basic understanding of key biogeochemical processes and its applications to solve real world problems. It is detailed, but also assists the reader with box inserts, artfully designed diagrams, and summary tables all supported by numerous current references. This book is an excellent resource for senior undergraduates and graduate students studying ecosystem biogeochemistry with a focus in wetlands and aquatic systems.

The Second Machine Age: Work, Progress, and Prosperity in a Time of Brilliant Technologies

The Second Machine Age: Work, Progress, and Prosperity in a Time of Brilliant Technologies PDF Author: Erik Brynjolfsson
Publisher: W. W. Norton & Company
ISBN: 0393239357
Category : Business & Economics
Languages : en
Pages : 320

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Book Description
The big stories -- The skills of the new machines : technology races ahead -- Moore's law and the second half of the chessboard -- The digitization of just about everything -- Innovation : declining or recombining? -- Artificial and human intelligence in the second machine age -- Computing bounty -- Beyond GDP -- The spread -- The biggest winners : stars and superstars -- Implications of the bounty and the spread -- Learning to race with machines : recommendations for individuals -- Policy recommendations -- Long-term recommendations -- Technology and the future (which is very different from "technology is the future").