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Introduction

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Topics in Theoretical and Computational Nanoscience

Part of the book series: Springer Theses ((Springer Theses))

Abstract

The ultimate goal of theoretical science is to explain phenomena that occur in nature. At the current time, (it is believed that) many of the fundamental laws of nature have been elucidated, and now, most of the phenomena of interest are those that arise from collective effects. Consider, for example, the branch of chemistry. In principle, nearly all of chemistry can be described using the fundamental theory of quantum mechanics (the mechanics of small particles). For the most basic systems, such as a hydrogen-like atoms (i.e., those with a single electron), analytical (theoretical) solutions to the relevant equations exist (using simplifying approximations), and have been known for some time. However, for larger, and more complex systems, such descriptions are not possible. Thus, at this level, theoretical and computational science has merged (terms which will be used interchangeably throughout this dissertation), where the latter approach is used to numerically obtain approximate solutions to the equations of the former.

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  1. Northwestern University, Evanston, IL, 60208, USA

    Jeffrey Michael McMahon

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McMahon, J.M. (2011). Introduction. In: Topics in Theoretical and Computational Nanoscience. Springer Theses. Springer, New York, NY. https://doi.org/10.1007/978-1-4419-8249-0_1

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