Exposing chemical engineering community

The time is ripe for the broader chemical engineering community to be exposed to Car-Parrincllo methods and their potential for chemical engineering. Computational methods, even very advanced ones, will continue to become more and more routine for nonspecialists. Having these computational methods in the chemical engineer s toolbox will necessarily lead to enhanced ability to make significant advances, both experimental and theoretical. 

The objective of this article is to expose the chemical engineering community to Car-Parrinello methods, what they have accomplished, and what their potential is for chemical engineering. Consistent with this objective, in Section IV, I give an overview of the most widely used quantum mechanical method for solving the many-body electronic problem, density-functional theory, but describe other methods only cursorily. I also describe the practical solution of the equations of density-functional theory for molecular and extended systems via the plane-wave pseudopotential method, mentioning other methods only cursorily. Finally, I end this section with a description of the Car-Parrinello method itself. 

Motivation is a key aspect and component in your first steps as an engineer. There is a need to engage students with interesting material, especially in a subject matter like units and dimensions, which are critically important but somewhat dry. Thus, many of the examples involve real-world situations to which students may be able to relate readily. In this book, you will be exposed to all of the chemical and bioprocess engineering areas, so you will understand your future role in society, and, most importantly, we will do our best to communicate to you the enchantment we feel with this marvelous profession. 

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