
Dibya Prakash Rai
http://nanohub.org/members/187116

MUKTI RANJAN MOHAPATRA
http://nanohub.org/members/179230

Vikram Jadhao
http://nanohub.org/members/155430

Feb 25 2016
nanoBIO node Webinar Series (Nanosystems Functionalization Modeling and Simulation)
This is the nanoBIO node webinar series on online modeling and simulation of:nanobio device Functionalization using Functionalization Workbench (available at nanoHUB.org)Join WebEx...
http://nanohub.org/events/details/1433

Tensile Testing Laboratory: Nanoscale and Macroscale Metal Samples
24 Nov 2015   Contributor(s):: Aisling Coughlan, Kendra A. Erk, David Ray Johnson, Tanya Faltens, Alejandro Strachan, Heidi A DiefesDux
This document is an updated (Fall 2015) sophomore materials science and engineering tensile testing laboratory handout that introduces students to the atomiclevel processes that are responsible for plastic deformation. By performing standard tensile tests on a ductile metal in conjunction with...

Tensile Testing of Nanoscale and Macroscale Metal Samples
25 Mar 2015   Contributor(s):: Aisling Coughlan, Kendra A. Erk, David Ray Johnson, Tanya Faltens, Alejandro Strachan, Heidi A DiefesDux
This document is a sophomore materials science and engineering tensile testing laboratory handout (Fall 2014) that introduces students to the atomiclevel processes that are responsible for plastic deformation. By performing standard tensile tests on a ductile metal in conjunction with...

Designing meaningful MD simulations: The lithiation of Silicon
25 Mar 2014   Contributor(s):: Maria C Rincon, hojin kim, David Guzman, Alejandro Strachan

Marco MarÃn SuÃ¡rez
http://nanohub.org/members/98339

Resources for Materials Science and Engineering
Ab initio electronic structure simulation tools
ABINIT
:ABINIT is a package whose main program allows to find the total energy, charge density and electronic structure of systems made...
http://nanohub.org/wiki/MaterialScienceSimulationTools

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

Crystalline Cellulose  Atomistic Toolkit
17 Jul 2013   Contributor(s):: Mateo Gómez Zuluaga, Robert J. Moon, Fernando Luis Dri, Pablo Daniel Zavattieri
Crystalline Cellulose  Atomistic Toolkit

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

Atomistic Material Science
25 Aug 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 1: Atomistic Material Science  ab initio simulations of materials
25 Aug 2011   Contributor(s):: Alejandro Strachan
This lecture introduces first principles electronic structure calculations of materials properties.It describes the approximations made to the manybody Schrodinger equation in Hartree Fock and Density Functional Theory and numerical approximations used in computer simulations.

Tutorial 2: Atomistic Material Science  Molecular Dynamics simulations of materials
25 Aug 2011   Contributor(s):: Alejandro Strachan
This lecture introduces the concept of molecular dynamics (MD) simulations of materials focusing on the physics and approximations underlying the simulations and interpretation of their results.

Cap interaction between 2 nanotubes facing each other
Closed  Responses: 1
Is it possible to use nanomaterials simulation tool kit to compute the potential energy minima between the two capped nanotube facing each other?
http://nanohub.org/answers/question/724

Goranka Bilalbegovic
http://nanohub.org/members/45672

Ripples and Warping of Graphene: A Theoretical Study
19 May 2010   Contributor(s):: Umesh V. Waghmare
We use firstprinciples density functional theory based analysis to understand formation of ripples in graphene and related 2D materials. For an infinite graphene, we show that ripples are linked with a low energy branch of phonons that exhibits quadratic dispersion at long wavelengths. Many...

Mahesh R Neupane
Though Mahesh hails from Nepal, he graduated with a Bachelors of Engineering (BE)degree in Computer Science from University of Madras, India, in 2003. In 2005, he received a MS degree in Computer...
http://nanohub.org/members/38579

Illinois Center for Cellular Mechanics: Discovery through the Computational Microscope
09 Feb 2009   Contributor(s):: Klaus Schulten
Computational MicroscopeAllatom molecular dynamics simulations have become increasingly popular as a toolto investigate protein function and dynamics. However, researchers are usuallyconcerned about the short time scales covered by simulations, the apparentimpossibility to model large and...