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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.
Catalyst technologies account for over $1 trillion of revenue in the U.S. economy alone. The applications range from medicines and alternative energy fuel cell technologies to the development of new and innovative clothing fibers. In this book, a World Technology Evaluation Center (WTEC) panel of eight experts in the field assesses the current state of research and development in catalysis by nanostructured materials, its sources of funding, and discusses the state of the field with respect to productivity and leadership in various nations around the world. In addition to showing the numerous and highly advantageous practical applications of the field, the panel concludes that Western Europe...
The Evolution Arti?cielle cycle of conferences was originally initiated as a forum for the French-speaking evolutionary computation community. Previous EA m- tings were held in Toulouse (EA’94), Brest (EA’95, LNCS 1063), Nˆ?mes (EA’97, LNCS 1363), Dunkerque (EA’99, LNCS 1829), and ?nally, EA 2001 was hosted by the Universit ́e de Bourgogne in the small town of Le Creusot, in an area of France renowned for its excellent wines. However, the EA conferences have been receiving more and more papers from the international community: this conference can be considered fully internat- nal, with 39submissions from non-francophonic countries on all ?ve continents, out of a total of 68. Out of...
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