Foundations of Molecular Modeling and Simulation (eBook)

This highly informative and carefully presented book comprises select proceedings of Foundation for Molecular Modelling and Simulation (FOMMS 2018). The contents are written by invited speakers centered on the theme Innovation for Complex Systems. It showcases new developments and applications of computational quantum chemistry, statistical mechanics, molecular simulation and theory, and continuum and engineering process simulation. This volume will serve as a useful reference to researchers, academicians and practitioners alike.

Prof. Edward Maginn is the Keough-Hesburgh Professor in the department of chemical and biomolecular engineering at the University of Notre Dame. He received his B.S. in chemical engineering from Iowa State University and his Ph.D. in chemical engineering from the University of California, Berkeley. His research focuses on the development and use of atomistic molecular dynamics and Monte Carlo simulation methods to study the thermodynamic and transport properties of materials, with special emphasis on ionic systems important in energy and environmental applications. He has won a number of awards, including the Early Career Award from the Computational Molecular Science and Engineering Forum of the American Institute of Chemical Engineers, the American Society for Engineering Education Dow Outstanding New Faculty Award, the BP College of Engineering Outstanding Teacher Award and the National Science Foundation Career award. He is a Fellow of the American Association for the Advancement of Science and the American Institute of Chemical Engineers and is a trustee and president of the non-profit CACHE (Computer Aids for Chemical Engineering) Corporation.

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This highly informative and carefully presented book comprises select proceedings of Foundation for Molecular Modelling and Simulation (FOMMS 2018). The contents are written by invited speakers centered on the theme Innovation for Complex Systems. It showcases new developments and applications of computational quantum chemistry, statistical mechanics, molecular simulation and theory, and continuum and engineering process simulation. This volume will serve as a useful reference to researchers, academicians and practitioners alike.