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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.
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.
Author: Sadasivan Shankar
Publisher:
ISBN: 9783030187798
Category :
Languages : en
Pages : 0
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.
Author: Michael Manson
Publisher: Frontiers Media SA
ISBN: 2832505554
Category : Science
Languages : en
Pages : 239
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Book Description
Author: Bryan P. Bergeron
Publisher: Prentice Hall Professional
ISBN: 9780131008250
Category : Computers
Languages : en
Pages : 472
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Book Description
Comprehensive and concise, this handbook has chapters on computing visualization, large database designs, advanced pattern matching and other key bioinformatics techniques. It is a practical guide to computing in the growing field of Bioinformatics--the study of how information is represented and transmitted in biological systems, starting at the molecular level.
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").
Author: Jo Bostock
Publisher: Cambridge University Press
ISBN: 1107428688
Category : Juvenile Nonfiction
Languages : en
Pages : 105
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Book Description
The Meaning of Success: Insights from Women at Cambridge makes a compelling case for a more inclusive definition of success. It argues that in order to recognise, reward and realise the talents of both women and men, a more meaningful definition of success is needed. Practical ways of achieving this are explored through interviews with female role models at the University of Cambridge. First-person stories bring alive the achievements and challenges women experience in their working lives, and the effect gender has on careers. The book stimulates a debate about how to bring about a more inclusive working environment.
Author: National Research Council
Publisher: National Academies Press
ISBN: 0309119235
Category : Science
Languages : en
Pages : 313
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Book Description
There has been an exponential increase in desalination capacity both globally and nationally since 1960, fueled in part by growing concern for local water scarcity and made possible to a great extent by a major federal investment for desalination research and development. Traditional sources of supply are increasingly expensive, unavailable, or controversial, but desalination technology offers the potential to substantially reduce water scarcity by converting the almost inexhaustible supply of seawater and the apparently vast quantities of brackish groundwater into new sources of freshwater. Desalination assesses the state of the art in relevant desalination technologies, and factors such as cost and implementation challenges. It also describes reasonable long-term goals for advancing desalination technology, posits recommendations for action and research, estimates the funding necessary to support the proposed research agenda, and identifies appropriate roles for governmental and nongovernmental entities.
Author: Frank Weinhold
Publisher: John Wiley & Sons
ISBN: 1118229193
Category : Science
Languages : en
Pages : 342
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Book Description
This book explores chemical bonds, their intrinsic energies, and the corresponding dissociation energies which are relevant in reactivity problems. It offers the first book on conceptual quantum chemistry, a key area for understanding chemical principles and predicting chemical properties. It presents NBO mathematical algorithms embedded in a well-tested and widely used computer program (currently, NBO 5.9). While encouraging a "look under the hood" (Appendix A), this book mainly enables students to gain proficiency in using the NBO program to re-express complex wavefunctions in terms of intuitive chemical concepts and orbital imagery.
Author: Richard Silberglitt
Publisher: Rand Corporation
ISBN: 0833041142
Category : Technology & Engineering
Languages : en
Pages : 332
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Book Description
In 2020, areas of particular importance for technology trends will include biotechnology, nanotechnology, materials technology, and information technology. This report, the companion document to The Global Technology Revolution 2020, Executive Summary (Silberglitt et al., MG-475-NIC, 2006), assesses in detail a sample of 29 countries with respect to their ability to acquire and implement 16 key technology applications.
Author: L.A. Curtiss
Publisher: Springer Science & Business Media
ISBN: 1402021178
Category : Technology & Engineering
Languages : en
Pages : 381
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Book Description
As a result of the advancements in algorithms and the huge increase in speed of computers over the past decade, electronic structure calculations have evolved into a valuable tool for characterizing surface species and for elucidating the pathways for their formation and reactivity. It is also now possible to calculate, including electric field effects, STM images for surface structures. To date the calculation of such images has been dominated by density functional methods, primarily because the computational cost of - curate wave-function based calculations using either realistic cluster or slab models would be prohibitive. DFT calculations have proven especially valuable for elucidating chemical processes on silicon and other semiconductor surfaces. However, it is also clear that some of the systems to which DFT methods have been applied have large non-dynamical correlation effects, which may not be properly handled by the current generation of Kohn-Sham-based density functionals. For example, our CASSCF calculations on the Si(001)/acetylene system reveal that at some geometries there is extensive 86 configuration mixing. This, in turn, could signal problems for DFT cal- lations on these systems. Some of these problem systems can be addressed using ONIOM or other “layering” methods, treating the primary region of interest with a CASMP2 or other multireference-based method, and treating the secondary region by a lower level of electronic structure theory or by use of a molecular mechanics method. ACKNOWLEDGEMENTS We wish to thank H. Jónsson, C. Sosa, D. Sorescu, P. Nachtigall, and T. -C.
