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portada applying molecular and materials modeling
applying molecular and materials modelingapplying molecular and materials modeling
Type
Physical Book
Publisher
Language
English
Pages
587
ISBN
1402009062
ISBN13
9781402009068
Categories

applying molecular and materials modeling

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Synopsis "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.

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