
Jupyter in nanoHUB: Developing and Deploying Jupyter Tools in nanoHUB
16 Dec 2020   Contributor(s):: Alejandro Strachan
This presentation is available for prescreening. The final presentation production will be forth coming.

ME 697R: Computation Methods for Nanoscale Energy Transport
21 Aug 2019   Contributor(s):: Xiulin Ruan
Fall 2019 This Course is in productionThis course provides a detailed presentation of the computational methods used to treat energy transport and conversion in the atomic and nanoscales. The methods include lattice dynamics, molecular dynamics, first principles calculations, Boltzmann transport...

Scaffolding Simulations in a Rate Processes of Materials Course
16 Aug 2018   Contributor(s):: Susan P Gentry
This learning resource describes a set of programming assignments that are used in a Rate Processes of Materials course. The assignments are designed around the pedagogical principle of scaffolding, in which students are given initial support structures that are gradually removed. The...

MSE 498: Computational Materials Science and Engineering
30 Mar 2015   Contributor(s):: Andrew Ferguson
This new course will give students handson experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g.,...

Introduction to Compact Models and Circuit Simulation
19 Jun 2013   Contributor(s):: Tianshi Wang, Jaijeet Roychowdhury
The presentation is a gentle introduction to compact models, basic circuit simulation concepts, and flows for developing compact models. The roadmap for the NEEDSSPICE platform, being developed to ease the process of developing simulationready compact models for novel nanodevices, is briefly...

[Illinois] PHYS466 2013: Atomic Scale Simulations
06 Feb 2013   Contributor(s):: David M. Ceperley
Application of Monte Carlo and Molecular Dynamics techniques in primarily classical simulations to understand and predict properties of microscopic systems in materials science, physics, biology, and chemistry. Numerical algorithms, connections between simulation results and real properties of...

ECE 595E Numerical Simulations for Energy Applications
17 Jan 2013   Contributor(s):: Peter Bermel

NEMO5 Tutorials (2012 Summer School)
19 Jul 2012   Contributor(s):: James Fonseca, Tillmann Christoph Kubis, Michael Povolotskyi, Jean Michel D Sellier, Parijat Sengupta, Junzhe Geng, Mehdi Salmani Jelodar, Seung Hyun Park, Gerhard Klimeck
While the general topics presented in the summer school materials are still applicable, many details have changed. If you are looking at these to learn how to use NEMO5, check out the newer materials here: https://nanohub.org/resources/21824

Rappture Bootcamp: Building and Deploying Tools
16 Jul 2012   Contributor(s):: Michael McLennan
This tutorial, presented at the NCN Rappture Bootcamp at Purdue (May 2224, 2012), shows you exactly how you can upload your own code onto a hub and publish a tool for a limited group of colleagues or for the entire world to use. It describes Rappture, the Rapid APPlication infrastrucTURE, a...

Atomistic Material Science
03 Nov 2011   Contributor(s):: Alejandro Strachan
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.

How to Make High Quality Plots in MATLAB
17 Aug 2011   Contributor(s):: Mehdi Salmani Jelodar
This presentation is a tutorial for plotting higher quality figures by Matlab. Basic elements of plots are introduced and the way to manipulate these elements by coding is explained. Tow methods for dual axis plotting is described. At the end an approach to print figures automatically (by coding)...

Tutorial 3: Materials Simulation by FirstPrinciples Density Functional Theory
14 Sep 2010   Contributor(s):: Umesh V. Waghmare
This twopart lecture will provide an introduction to firstprinciples density functional theory based methods for simulation of materials, with a focus on determination of interatomic force constants and vibrational spectra of nano structures and extended periodic materials.

Poisson Equation Solvers  General Considerations
08 Jun 2010   Contributor(s):: Dragica Vasileska
We describe the need for numerical modeling, the finite difference method, the conversion from continuous set to set of matrix equations, types of solvers for solving sparse matrix equations of the form Ax=b that result, for example, from the finite difference discretization of the Poisson...

Short Course on Molecular Dynamics Simulation
13 Oct 2009   Contributor(s):: Ashlie Martini
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...

Illinois ECE 498AL: Programming Massively Parallel Processors
11 Aug 2009   Contributor(s):: WenMei W Hwu
Spring 2009 Virtually all semiconductor market domains, including PCs, game consoles, mobile handsets, servers, supercomputers, and networks, are converging to concurrent platforms. There are two important reasons for this trend. First, these concurrent processors can potentially offer more...

Illinois MatSE485/Phys466/CSE485  AtomicScale Simulation
27 Jan 2009   Contributor(s):: David M. Ceperley
THE OBJECTIVE is to learn and apply fundamental techniques used in (primarily classical) simulations in order to help understand and predict properties of microscopic systems in materials science, physics, chemistry, and biology. THE EMPHASIS will be on connections between the simulation...

MSE 597G An Introduction to Molecular Dynamics
13 Nov 2008   Contributor(s):: Alejandro Strachan
The goal of this short course is to provide an introduction to the theory and algorithms behind MD simulations, describe some of the most exciting recent developments in the field and exemplify with a few applications applications. The series also includes a tutorial on the nanoMATERIALS...

Overview of Computational Nanoscience: a UC Berkeley Course
01 Feb 2008   Contributor(s):: Jeffrey C Grossman, Elif Ertekin
This course will provide students with the fundamentals of computational problemsolving techniques that are used to understand and predict properties of nanoscale systems. Emphasis will be placed on how to use simulations effectively, intelligently, and cohesively to predict properties that...

Developing Tools for nanoHUB.org
23 Jan 2008   Contributor(s):: Michael McLennan
The nanoHUB lets you access simulation tools online via an ordinary web browser. Where do the tools come from? From youhundreds of you throughout the world who are developing nanotechnology modeling tools. Anyone can upload their own code onto nanoHUB and publish a tool for a limited group of...

Lectures on Molecular Dynamics Modeling of Materials
09 Jan 2008   Contributor(s):: Alejandro Strachan
Molecular dynamics simulations are playing an increasingly important role in many areas of science and engineering, from biology and pharmacy to nanoelectronics and structural materials. Recent breakthroughs in methodologies and in first principlesbased interatomic potentials significantly...