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Applying Molecular and Materials Modeling
Computational molecular and materials modeling has emerged to deliver solid technological impacts in the chemical, pharmaceutical, and materials industries. It is not the all-predictive science fiction that discouraged early adopters in the 1980s. Rather, it is proving a valuable aid to designing and developing new products and processes. People create, not computers, and these tools give them qualitative relations and quantitative properties that they need to make creative decisions. With detailed analysis and examples from around the world, Applying Molecular and Materials Modeling describes the science, applications, and infrastructures that have proven successful. Computational quantum chemistry, molecular simulations, informatics, desktop graphics, and high-performance computing all play important roles. At the same time, the best technology requires the right practitioners, the right organizational structures, and - most of all - a clearly understood blend of imagination and realism that propels technological advances. This book is itself a powerful tool to help scientists, engineers, and managers understand and take advantage of these advances.
Computer-aided Design of High-temperature Materials
High-temperature materials is a fast-moving research area with numerous practical applications. Materials that can withstand extremely high temperatures and extreme environments are generating considerable attention worldwide; however, designing materials that have low densities, elevated melting temperatures, oxidation resistance, creep resistance, and intrinsic toughness encompass some of the most challenging problems in materials science. The current search for high-temperature materials is largely based on traditional, trial-and-error experimental methods which are costly and time-consuming. An effective way to accelerate research in this field is to use recent advances in materials simu...
Recent Progress in Many-Body Theories
The present volume contains the texts of the invited talks delivered at the Sev enth International Conference on Recent Progress in Many-Body Theories held at the University of Minnesota during the period August 26-31, 1991. The proceedings of the Fourth Conference (Oulu, Finland, 1987) and Fifth Conference (Arad, Israel, 1989) have been published by Plenum as the first two volumes of this series. Papers from the First Conference (Trieste, 1978) comprise Nuclear Physics volume A328, Nos. 1, 2. The Second Conference (Oaxtepec, Mexico, 1989) was published by Springer-Verlag as volume 142 of "Lecture Notes in Physics," entitled "Recent Progress in Many Body Theories." Volume 198 of the same ser...
Advances in Parallel & Distributed Processing, and Applications
The book presents the proceedings of four conferences: The 26th International Conference on Parallel and Distributed Processing Techniques and Applications (PDPTA'20), The 18th International Conference on Scientific Computing (CSC'20); The 17th International Conference on Modeling, Simulation and Visualization Methods (MSV'20); and The 16th International Conference on Grid, Cloud, and Cluster Computing (GCC'20). The conferences took place in Las Vegas, NV, USA, July 27-30, 2020. The conferences are part of the larger 2020 World Congress in Computer Science, Computer Engineering, & Applied Computing (CSCE'20), which features 20 major tracks. Authors include academics, researchers, professionals, and students. Presents the proceedings of four conferences as part of the 2020 World Congress in Computer Science, Computer Engineering, & Applied Computing (CSCE'20); Includes the research tracks Parallel and Distributed Processing, Scientific Computing, Modeling, Simulation and Visualization, and Grid, Cloud, and Cluster Computing; Features papers from PDPTA’20, CSC’20, MSV’20, and GCC’20.
Computational Approaches to Novel Condensed Matter Systems
This volume contains the lectures given at the Third Gordon Godfrey International Workshop on Computational Approaches to Novel Condensed Matter Systems which was held at The University of New South Wales July 12-17, 1993. Lecturers from Asia, Australia, Europe and North America gave a total of twenty-nine lectures which were spread over the five days. Unfortunately we were not able to include in this volume the lectures of S. Das Sarma from the University of Maryland on "Non-Equilibrium Growth as a Self-Organised Phenomenon" due to constraints of time. The workshops have been held annually since 1991 in Sydney, each covering a novel research area in condensed matter physics that is of topic...
Condensed Matter Theories
The XIV International Workshop on Condensed Matter Theories has been held at the Elba International Physics Center (EIPC), Marciana Marina, Isola d'Elba, Italy, from 18-23 June, 1990. The Workshop started in 1977 in Sao Paolo, Brazil, as the 1st Pan American Workshop on Condensed Matter Theories, with the purpose of bringing together scientists from the Western countries, working in many different topics of Condensed Matter Theories, to facilitate exchanges of ideas and technologies from different areas as well as collaborations among the scientists. The next five Workshops were held at Trieste, Italy (1978), in Buenos Aires, Argentina ( 1979), in Caracas, Venezuela (1980), in Mexico City, M...
Walter Kohn
This is not a science book, nor even a book about science, although most of the contributors are scientists. It is a book of personal stories about Walter Kohn, a theoretical physicist and winner of half of the 1998 Nobel Prize in Chemistry. Walter Kohn originated and/or refined a number of very important theoretical approaches and concepts in solid-state physics. He is known in particular for Density-Functional Theory. This book represents a kind of "oral history" about him, gathered - in anticipation of his 80th birthday - from former students, collaborators, fellow-scientists, and friends.
Getting Up to Speed
Supercomputers play a significant and growing role in a variety of areas important to the nation. They are used to address challenging science and technology problems. In recent years, however, progress in supercomputing in the United States has slowed. The development of the Earth Simulator supercomputer by Japan that the United States could lose its competitive advantage and, more importantly, the national competence needed to achieve national goals. In the wake of this development, the Department of Energy asked the NRC to assess the state of U.S. supercomputing capabilities and relevant R&D. Subsequently, the Senate directed DOE in S. Rpt. 107-220 to ask the NRC to evaluate the Advanced Simulation and Computing program of the National Nuclear Security Administration at DOE in light of the development of the Earth Simulator. This report provides an assessment of the current status of supercomputing in the United States including a review of current demand and technology, infrastructure and institutions, and international activities. The report also presents a number of recommendations to enable the United States to meet current and future needs for capability supercomputers.
