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Tools for Atomic Scale Modeling

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E Beronio onto Modeling & Simulation

Some useful resources on DFT using Siesta

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E Beronio onto Modeling & Simulation

This lecture introduces first principles electronic structure calculations of materials properties. It describes the approximations made to the many-body Schrodinger equation in Hartree Fock and Density Functional Theory and numerical approximations used in computer simulations.

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E Beronio onto Modeling & Simulation

Lecture notes for the Fall 2009 teaching of ECE 495: Fundamentals of Nanoelectronics.

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Hany Mostafa Hussein onto NanoPhotonics

This zip-archive contains two Matlab functions for the recursive solution of the partial matrix inversion and partial 3-matrix multiplication used in the non-equilibrium Green’s function (NEGF) method. recuresealg3d.m – works for 3-diagonal matrices recuresealgblock3d.m – works for 3-block-diagonal matrices The explanations of the arguments and the calling sequence are in file headers. To display, use the Matlab commands >> help recuresealg3d >> help recuresealgblock3d Co-authored by Siyu …

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YUlin onto Download

This code developed in C and CUDA simulates the carrier transport in three-dimensional (3D) topological insulator (TI) nanowire, with Bi2Se3 as exemplar material, with or without impurities, edge defects, acoustic phonons and vacancies for semi-infinite or metallic contacts (normal/magnetic) on General Purpose Graphic Processing Unit (GP-GPU) via Non-Equilibrium Green's Function (NEGF). It can also be used for simulating energy-dispersion in Bi2Se3 TI and...

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YUlin onto Download

A set of Matlab scripts has been developed illustrating the treatment of inelastic scattering in non-equilibrium Greens function (NEGF) based quantum transport models. The first script highlights the core principles using a simple conductor described by a (2×2) Hamiltonian matrix, while the second script shows how the model can be extended straightforwardly to arbitrary conductors described by any (NxN) Hamiltonian. Numerical results are presented in both cases highlighting the subtle effects …

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YUlin onto Download

A five-week course on the basic physics that govern materials at atomic scales.

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E Beronio onto Modeling & Simulation

This course introduces first principles electronic structure calculations of materials properties and the concept of molecular dynamics (MD) simulations of materials focusing on the physics and approximations underlying the simulations and interpretation of their results.

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E Beronio onto Modeling & Simulation

lecture by Andrew M.Weiner

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aditya pusala onto ultrafast optics

This five-week short course aims to introduce students to the thermoelectric theory and applications using a unique, “bottom up” approach to carrier transport that has emerged from research on…

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Yiju Zhao onto Thermoelectric

Molecular dynamics simulation of atomic stick-slip friction

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chao wang onto MMD course

Simulates tensile deformation of a copper nanowire

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chao wang onto MMD course

Fall 2008

This course examines the device physics of advanced transistors and the process, device, circuit, and systems considerations that enter into the development of new integrated circuit technologies. The course consists of three parts. Part 1 treats silicon MOS and MOSFET fundamentals as well as second order effects such as gate leakage and quantum mechanical effects. Short channel effects, device scaling, and fabrication processes and reliability are the subject of Part 2. In Part …

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Designing your life

Several students have said that they are exploring options, trying to figure out what they want to do with their life.

 

This is a highly-recommended book for designing one's life that has accompanying online resources.

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Tanya Faltens onto Planning Resources

NEMO5

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Mahtab Talayedar onto NEMO5

This set of lecture notes is intended to help students learn the basics of PN junction theory and modeling.

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Maneesha Rupakula onto Must Do Courses

This set of powerpoint slides series provides insight on what are the tools available for modeling devices that behave either classically or quantum-mechanically. An in-depth description is provided to the approaches with emphasis on the advantages and disadvantages of each approach. Conclusions are drawn about the applicability of each approach. There are additional teaching materials that can be found on the nanohub that give more in-depth knowledge about each topic being addressed in this …

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Maneesha Rupakula onto Must Do Courses

In this section of the Quantum Mechanics class we discuss the particle-wave duality and the need for the quantization of energy to explain the black-body radiation and the photoelectric effect. We provide reading material, slides and video, which in a very illustrative way, explain the most difficult concept in quantum-mechanics: the particle-wave duality. A homework assignment, that teaches the students the quantization of the angular momentum and energy and also helps the students to better …

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Maneesha Rupakula onto Must Do Courses

This course will introduce the students to the basic concepts and postulates of quantum mechanics. Examples will include simple systems such as particle in an infinite and finite well, 1D and 2D harmonic oscillator and tunneling. Numerous approximation techniques, such as WKB method, time-dependent and time-independent perturbation theory, variational methods and numerical solution methods of the 1D Schrödinger equation, will be presented. The importance of quantum-mechanics in todays life …

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Maneesha Rupakula onto Must Do Courses

This set of ten presentations accompanied a graduate level course on Molecular Dynamics simulation. The specific objective of the course (and the presentations) is to provide: 1. Awareness of the opportunities and limitations of Molecular Dynamics as a tool for scientific and engineering research 2. Understanding of the compromise between model complexity/realism and computational expense 3. Background that enables interpretation of Molecular Dynamics-based studies reported in the literature

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Ojus Bagal onto Classes

A five week course distilling the principles and physics of electronic nanobiosensors.

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Maneesha Rupakula onto Must Do Courses

The goals of this course are to give the student an understanding of the elements of semiconductor physics and principles of semiconductor devices that (a) constitute the foundation required for an electrical engineering major to take follow-on courses, and (b) represent the essential basic knowledge of the operation and limitations of the three primary electronic devices, 1) p-n junctions, 2) bipolar transistors, and 3) field effect transistors, that either an electrical engineer or a computer engineer will find useful in maintaining currency with new developments in semiconductor devices and integrated circuits in an extended career in either field.

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Maneesha Rupakula onto Must Do Courses

Basic Concepts presents key concepts in nanoelectronics and mesoscopic physics and relates them to the traditional view of electron flow in solids.

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Maneesha Rupakula onto Must Do Courses

Instructor: Mark Lundstrom

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Maneesha Rupakula onto Must Do Courses