Computational Approaches in Physics

Computational Approaches in Physics

Maria Fyta
ISBN: 9781681744162 | PDF ISBN: 9781681744179
Copyright © 2017 | 136 Pages | Publication Date: November, 2016

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Computational Approaches in Physics reviews computational schemes which are used in the simulations of physical systems. These range from very accurate ab initio techniques up to coarse-grained and mesoscopic schemes. The choice of the method is based on the desired accuracy and computational efficiency. A bottom-up approach is used to present the various simulation methods used in Physics, starting from the lower level and the most accurate methods, up to particle-based ones. The book outlines the basic theory underlying each technique and its complexity, addresses the computational implications and issues in the implementation, as well as present representative examples. A link to the most common computational codes, commercial or open source is listed in each chapter. The strengths and deficiencies of the variety of techniques discussed in this book are presented in detail and visualization tools commonly used to make the simulation data more comprehensive is also discussed. In the end, specific techniques are used as bridges across different disciplines. To this end, examples of different systems tackled with the same methods are presented. The appendices include elements of physical theory which are prerequisites in understanding the simulation methods.

Table of Contents

Preface
Acknowledgments
About the author
Glossary
1. Introduction
2. Quantum-mechanical methods
3. Atomistic methods
4. Classical potentials and force fields
5. Mesoscopic particle methods
6. The Monte Carlo method
7. Multiscale, hybrid, and coarse-grained methods
8. Other common aspects

About the Author(s)

Maria Fyta, University of Stuttgart
Maria Fyta is a Junior Professor at the University of Stuttgart in the Institute for Computational Physics. Her research is focused on the interface of materials science and biophysical phenomena and belongs to the field of computational physics. Applications of this work can be purely technological, like MEMS/NEMS coatings and spin qubits or biotechnological, like ultra-fast DNA sequencing and biosensing. She received her PhD from the University of Crete in 2005 and did postdoctoral work at both Harvard University and the Technical University of Munich.

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