Computational nanoelectronics is an emerging multi-disciplinary field covering condensed matter physics, applied mathematics, computer science, and electronic engineering. In recent decades, a few state-of-the-art software packages have been developed to carry out first-principle atomistic device simulations. Nevertheless those packages are either black boxes (commercial codes) or accessible only to very limited users (private research codes). The purpose of this book is to open one of the commercial black boxes, and to demonstrate the complete procedure from theoretical derivation, to numerical implementation, all the way to device simulation. Meanwhile the affiliated source code constitutes an open platform for new researchers. This is the first book of its kind. We hope the book will make a modest contribution to the field of computational nanoelectronics.
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The main objective of this book is to extend the scope of the q-calculus based on the definition of q-derivative [Jackson (1910)] to make it applicable to dense domains. As a matter of fact, Jackson's definition of q-derivative fails to work for impulse points while this situation does not arise for impulsive equations on q-time scales as the domains consist of isolated points covering the case of consecutive points. In precise terms, we study quantum calculus on finite intervals. In the first part, we discuss the concepts of qk-derivative and qk-integral, and establish their basic properties. As applications, we study initial and boundary value problems of impulsive qk-difference equations and inclusions equipped with different kinds of boundary conditions. We also transform some classical integral inequalities and develop some new integral inequalities for convex functions in the context of qk-calculus. In the second part, we develop fractional quantum calculus in relation to a new q-shifting operator and establish some existence and uniqueness results for initial and boundary value problems of impulsive fractional q-difference equations.
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