
Jun 26 2016
nanoHUB Materials Simulation Workshop
U236·SUNDAY WORKSHOP: Enhancing Student Learning of Atomic Structure and Properties with nanoHUB Simulation Tools  Constructing Concepts from the Bottom...
http://nanohub.org/events/details/1472

Introduction to Computational Modeling  Input Parameters for SIESTA Simulation
16 Jun 2016  Online Presentations  Contributor(s): Lan Li
This instructional video is part 2 in a two part series. It explains how to set up input parameters for the SIESTA simulation tool.
http://nanohub.org/resources/24476

Introduction to Computational Modeling  Schrödinger Equation, Density Functional Theory (DFT), KohnSham Method, DFT Code SIESTA
16 Jun 2016  Online Presentations  Contributor(s): Lan Li
This instructional video is part 1 in a two part series. It provides an
introduction to computational modeling, including motivation for studying
this topic. The Schrödinger...
http://nanohub.org/resources/24474

What is the suitable tool for calculating the HOMO/LUMO of specific molecular?
Closed  Responses: 0
http://nanohub.org/answers/question/1753

DFT Material Properties Simulator
10 Aug 2015  Tools  Contributor(s): Usama Kamran, David M Guzman, Alejandro Strachan
Compute electronic and mechanical properties of materials from DFT calculations with 1Click
http://nanohub.org/resources/dftmatprop

Katarina Danilo Batalovic
http://nanohub.org/members/121037

MSE 498 Lesson 6: DFT
17 Mar 2015  Online Presentations  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...
http://nanohub.org/resources/22061

MSE 498 Lesson 7: DFT
17 Mar 2015  Online Presentations  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...
http://nanohub.org/resources/22063

MSE 498 Lesson 8: DFT
17 Mar 2015  Online Presentations  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...
http://nanohub.org/resources/22065

MSE 498 Lesson 9: DFT
17 Mar 2015  Online Presentations  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...
http://nanohub.org/resources/22067

Permission denied message when running single oxygen atom
Closed  Responses: 0
I'm attempting to run the single oxygen atom from HW 1.3 in the Atoms to Materials course. There appears to be a file permission problem when copying a file.
I...
http://nanohub.org/answers/question/1405

DFT on Wikipedia
Collections 
16 Jul 2014 
Posted by Tanya Faltens
http://nanohub.org/groups/icmed/collections/dft

Life Beyond DFT
Collections 
16 Jul 2014 
Posted by Tanya Faltens
http://nanohub.org/groups/icmed/collections/dft

IMA 2013 UQ: DFTbased Thermal Properties: Three Levels of Error Management
02 Apr 2014  Online Presentations  Contributor(s): Kurt Lejaeghere
It is often computationally expensive to predict finitetemperature properties of a crystal from densityfunctional theory (DFT). The temperaturedependent thermal expansion coefficient α, for...
http://nanohub.org/resources/20311

Marco Marín Suárez
http://nanohub.org/members/98339

Majid Mortazavi
http://nanohub.org/members/89172

Salman Arham
http://nanohub.org/members/84904

anupam ghosh
M.Sc. Physics (2007), 1 year experience in neuroscience (200809), 1.5 yrs experience in synthesis and characterization of Nickel nanowires (201011), 1 year experience in simulation of...
http://nanohub.org/members/81944

Joshua Obodo
http://nanohub.org/members/79273

ECE 595E Lecture 24: Electronic Bandstructure Simulation Tools
19 Mar 2013  Online Presentations  Contributor(s): Peter Bermel
Outline:
Electronic bandstructure lab
Basic Principles
Input Interface
Exemplary Outputs
Density functional theory (DFT)
DFT in Quantum ESPRESSO
http://nanohub.org/resources/17307