Applying Molecular Simulation And Computational Chemistry

Computational Chemistry and Molecular Modeling

The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It provides in one comprehensive volume the in-depth theoretical background for molecular modeling and detailed descriptions of the applications in chemistry and related fields like drug design, molecular sciences, biomedical, polymer and materials engineering. Special chapters on basic mathematics and the use of respective software tools are included. Numerous numerical examples, exercises and explanatory illustrations as well as a web site with application tools (http://www.amrita.edu/cen/ccmm) support the students and lecturers.

Applying Molecular Simulation and Computational Chemistry

A Portrait of State-of-the-Art Research at the Technical University of Lisbon

The Technical University of Lisbon (UTL) is celebrating this year its 75th anniversary. Being a jubilee occasion, a full program of events took place, including a two-day Symposium on the research at UTL. This Symposium addressed the state-of-art in major areas of excellence at UTL. Science, technology and innovation and the way universities and society in general, create, use and disseminate knowledge have gained a growing signi?cance over the last decades. UTL no doubt embeds a relevant potential of excellence in different areas of research in basic and applied sciences, which bears its development on the basis of a “research university” model. This book contains the edited version of the invited lectures that were delivered by prominent researchers at UTL. This book brings together in a review manner a comprehensive summary of high quality research contri- tions across basic and applied sciences. The contributing papers are organized around the following major areas: – Emergent areas (Nanosciences, Quantic Computations and Infor- tion, Risk and Volatility in Financial Markets); – Basic Sciences (Mathematics, Physics, Chemistry and Materials); – Social Sciences, Economics and Management Sciences; – Life Sciences and Biotechnology; – Engineering and Technologies – Nature, Environment and Sustainability; – Public Health, Food Quality and Safety; – Health and Sport Sciences; – Urbanism, Transports, Architecture, Arts and Design. The transdisciplinary nature of most areas aims to stress a compelling sense of purpose in the work developed.