The Chemical Sciences Roundtable provides a forum for discussing chemically related issues affecting government, industry and government. The goal is to strengthen the chemical sciences by foster communication among all the important stakeholders. At a recent Roundtable meeting, information technology was identified as an issue of increasing importance to all sectors of the chemical enterprise. This book is the result of a workshop convened to explore this topic.

The Chemical Sciences Roundtable provides a forum for discussing chemically related issues affecting government, industry and government. The goal is to strengthen the chemical sciences by foster communication among all the important stakeholders. At a recent Roundtable meeting, information technology was identified as an issue of increasing importance to all sectors of the chemical enterprise. This book is the result of a workshop convened to explore this topic.

Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.

Recent developments in the fields of intelligent computing and communication have paved the way for the handling of current and upcoming problems and brought about significant technological advancements. This book presents the proceedings of IConIC 2021, the 4th International Conference on Intelligent Computing, held on 26 and 27 March 2021 in Chennai, India. The principle objective of the annual IConIC conference is to provide an international scientific forum where participants can exchange innovative ideas in relevant fields and interact in depth through discussion with their peer group. The theme of the 2021 conference and this book is ‘Smart Intelligent Computing and Communication Technology’, and the 109 papers included here focus on the technological innovations and trendsetting initiatives in medicine, industry, education and security that are improving and optimizing business and technical processes and enabling inclusive growth. The papers are grouped under 2 headings: Evolution of Computing Intelligence; and Computing and Communication, and cover a broad range of intelligent-computing research and applications. The book provides an overview of the cutting-edge developments and emerging areas of study in the technological fields of intelligent computing, and will be of interest to researchers and practitioners from both academia and industry.

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.

Whether you're already in the cloud, or determining whether or not it makes sense for your organization, Cloud Computing and Software Services: Theory and Techniques provides the technical understanding needed to develop and maintain state-of-the-art cloud computing and software services. From basic concepts and recent research findings to fut