Nanocomputing: Computational Physics for Nanoscience and Nanotechnology
Based on MATLAB and the C++ distributed computing paradigm, this guide gives instructive explanations of the underlying physics for mesoscopic systems with many listed programs that readily compute physical properties into nano scales. Many generated graphical pictures demonstrate not only the principles of physics but also the methodology of computing. The volume starts with a review on quantum physics, quantum chemistry and condensed matter physics, followed by a discussion on the computational and analytical tools and the numerical algorithms used. With these tools in hand, the nonlinear many-body problem, the molecular dynamics, the low dimensionality and nanostructures are then explored. Special topics covered have include the plasmon, the quantum Hall effect, chaos and stochasticity. The applications explored here include graphene, carbon nanotube, water dynamics and the molecular computer.
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Chapter One LITTLE BIG SCIENCE
Chapter Two TOOLS FOR ANALYSIS
Chapter Three MESOSCOPIC SYSTEMS
Chapter Four ANALYTICAL CHAPTER
Chapter Five NUMERICAL CHAPTER
Chapter Six NONLINEAR MANY BODY PHYSICS AND TRANSPORT
Chapter Seven OOP MPI AND PARALLEL COMPUTING
Chapter Eight LOW DIMENSIONALITY AND NANOSTRUCTURES
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algorithm Asymptology asymptotic atomic orbitals atoms Bloch Bohr radius bond boundary conditions boundary layer calculate carbon cell classical coefficient computing configuration constant coordinates correlation effect Coulomb defined density dh dh dh ds distribution eigenenergies eigenstates eigenvalue electron electron-electron interaction energy band evaluate example fullerene given gives global graphene Green's function grid Hamiltonian hydrogen molecule integral intentionally left blank interaction energy kinetic energy Landau length magnetic field MATLAB matrix method minimum energy mode conversion molecular dynamics Monte Carlo multiple nano nanoparticle Nanoscience nanostructure nanotube nucleon orbitals oscillation particles phase plasma plasmon plot polynomials problem protein quantization quantum dot quantum Hall effect quantum wire Schrodinger equation simulated annealing solution solve space spherical structure summation symmetry syms Taking temperature tight-binding model timescale tion Vabab variable vector velocity wave function