Chemical Reactions

Masters level textbook including basic concepts and examples involved in higher complexity multi-scale simulations

Features simple test cases and problems to facilitate the learning process

Provides an understanding of chemical processes at the microscopic level

Offers a rigorous description of the microscopic dynamics of reactive processes

Auteur

Antonio Laganà is Professor of Inorganic Chemistry at the University of Perugia. After his (Theoretical and Computational) Chemistry degree he has been postdoc at the University of Manchester (1977-78) and Visiting Researcher at several Laboratories and Universities (ECSEC, Caltech, Cambridge, Los Alamos, Salamanca, Bristol, CERN, EPCC, Vitoria, FORTH, Barcelona, CNUCE). He has been Director of two NATO workshops and has organized several International Schools and Conferences (among which Molec, Molecular Beams, Gas Kinetics, Stereodynamics, Computational Chemistry, Parallel computing, International Conference on Computational Science and its Applications) His research work has developed in the fields of electronic structure, molecular scattering, dynamics and kinetics, parallel and distributed scientific algorithms, high performance and high throughput computations with particular emphasis to distributed research and education community environments and tools. He has published morethan 400 papers and authored 10 books.

Prof. Laganà chairs the Computational Chemistry Division of EUCHEMS, the Virtual Research Community CMMST (Chemistry, Molecular & Materials Sciences and Technologies) of EGI.eu and the Virtual Education Community Standing Committee of ECTN. He has chaired in the past the ECTN Association (2007-2009), the COST Chemistry technical committee (2003-07), the Chemistry Department of the Perugia University (2002-13), the Computer Centre of the University of Perugia (1996-2001) and the Italian Interdivisional group of Computational Chemistry.

Prof. Greg Parker is the George Lynn Cross Research Professor at the Homer L. Dodge Department of Physics and Astronomy in the university of Oklahoma. He obtained his B.S and PhD from Brigham Young University, USA. Prof. Parker is the recipient of the following awards: the George Lynn Cross Research Professorship and the Regents' Award for Superior Research & Creative Activity.

Contenu

From the phenomenology of chemical reactions to the study of two body collisions.- A quantum approach to the two body problem.- Ab initio electronic structure for few body systems.- The treatment of few body reactions.- Complex reactive applications: a forward look to Open Science.- Appendices.