-
ME 697R: Computation Methods for Nanoscale Energy Transport
Courses | 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...
-
MSE 498: Computational Materials Science and Engineering
Courses | 30 Mar 2015 | Contributor(s):: Andrew Ferguson
This new course will give students hands-on 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.,...
-
[Illinois] PHYS466 2013: Atomic Scale Simulations
Courses | 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
Courses | 17 Jan 2013 | Contributor(s):: Peter Bermel
-
NEMO5 Tutorials (2012 Summer School)
Courses | 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
Courses | 16 Jul 2012 | Contributor(s):: Michael McLennan
This tutorial, presented at the NCN Rappture Bootcamp at Purdue (May 22-24, 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
Courses | 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.
-
Tutorial 3: Materials Simulation by First-Principles Density Functional Theory
Courses | 14 Sep 2010 | Contributor(s):: Umesh V. Waghmare
This two-part lecture will provide an introduction to first-principles 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.
-
Short Course on Molecular Dynamics Simulation
Courses | 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
Courses | 11 Aug 2009 | Contributor(s):: Wen-Mei 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 - Atomic-Scale Simulation
Courses | 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
Courses | 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
Courses | 01 Feb 2008 | Contributor(s):: Jeffrey C Grossman, Elif Ertekin
This course will provide students with the fundamentals of computational problem-solving 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...
-
Lectures on Molecular Dynamics Modeling of Materials
Courses | 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 principles-based interatomic potentials significantly...
-
Computational Electronics
Courses | 02 Jun 2006 | Contributor(s):: Dragica Vasileska
Scaling of CMOS devices into the nanometer regime leads to increased processing cost. In this regard, the field of Computational Electronics is becoming more and more important because device simulation offers unique possibility to test hypothetical devices which have not been fabricated yet...