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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.
Anand G. Mahindra, one of the most successful business men of India Inc., recently added another feather to his cap--Satyam Computer Services Ltd, which was counted as the fourth largest Information Technology (IT) services firm of India until the revelation of a financial fraud by its founder chairman. It was a risk that even the top three Indian IT companies of India avoided, but Anand Mahindra went ahead with the calculated risk of bidding for Satyam that turned out to be--historical and game changer-- in his own words. Venturbay Consultants Pvt Ltd, a subsidiary of Tech Mahindra Ltd., India's sixth largest software exporter outbid the diversified conglomerate Larsen & Toubro Ltd, U.S. based Cognizant Technology Solutions and American investor Wilbur Ross to acquire a controlling stake in Satyam Computer. Anand Mahindra was among those business heads at the helm of family owned businesses who acknowledged that ownership should be separate from management. The professionalism has paid off well and his flagship firm Mahindra & Mahindra Ltd, one of India's leading automotive manufacturers known for its tractors, has carved out a niche space in the passenger vehicles space also with successful sports utility vehicle (SUV) models such as Scorpio and Xylo. The Scorpio, developed from scratch for just $120 million, became a case study at the Harvard Business School. Another group company Mahindra Holidays and Resorts has just ended a four-month long drought at India's initial public offering (IPO) market. When Anand Mahindra joined the family business in early 1980s, he had to struggle to change the work culture at the grass root level. Then he focused on diversifying the business and the Group has now significant presence in sectors such as automobiles, financial services, trade and logistics, hospitality, automotive components, information technology and infrastructure development. Mahindra, India's top multi-utility vehicle maker and the world's fourth-largest tractor maker, has about 30% of the Indian tractor's market share, the world's largest by volume. Mahindra also has strong presence in urban and foreign markets like Russia, Brazil, Columbia and Africa. Mahindra was a co-founder of Kotak Mahindra Finance Ltd., which in 2003 was converted into a bank.
Simulation-Based Engineering and Science (SBE&S) cuts across disciplines, showing tremendous promise in areas from storm prediction and climate modeling to understanding the brain and the behavior of numerous other complex systems.In this groundbreaking volume, nine distinguished leaders assess the latest research trends, as a result of 52 site visits in Europe and Asia and hundreds of hours of expert interviews, and discuss the implications of their findings for the US government.The authors conclude that while the US remains the quantitative leader in SBE&S research and development, it is very much in danger of losing that edge to Europe and Asia.Commissioned by the National Science Foundation, this multifaceted study will capture the attention of Fortune 500 companies and policymakers.Distinguished contributors: Sharon C Goltzer, University of Michigan, Ann Arbor, USA Sangtae Kim, Morgridge Institute for Research, USA Peter T Cummings, Vanderbilt University, USA and Oak Ridge National Laboratory, USA Abhijit Deshmukh, Texas A&M University, USA Martin Head-Gordon, University of California, Berkeley, USA George Em Karniadakis, Brown University, USA Linda Petzold, University of California, Santa Barbara, USA Celeste Sagui, North Carolina State University, USA Masanobu Shinozuka, University of California, Irvine, USA