Tags: MD simulations

All Categories (1-20 of 23)

  1. 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?

    https://nanohub.org/answers/question/724

  2. anupam ghosh

    M.Sc. Physics (2007), 1 year experience in neuroscience (2008-09), 1.5 yrs experience in synthesis and characterization of Nickel nano-wires (2010-11), 1 year experience in simulation of...

    https://nanohub.org/members/81944

  3. 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.

  4. 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

  5. Designing meaningful MD simulations: The lithiation of Silicon

    25 Mar 2014 | | Contributor(s):: Maria C Rincon, hojin kim, David Guzman, Alejandro Strachan

  6. Dibya Prakash Rai

    https://nanohub.org/members/187116

  7. Goranka Bilalbegovic

    https://nanohub.org/members/45672

  8. Illinois Center for Cellular Mechanics: Discovery through the Computational Microscope

    09 Feb 2009 | | Contributor(s):: Klaus Schulten

    Computational MicroscopeAll-atom 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...

  9. 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...

    https://nanohub.org/members/38579

  10. Majid Mortazavi

    https://nanohub.org/members/89172

  11. Marco Marín Suárez

    https://nanohub.org/members/98339

  12. 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...

  13. MSE 597G: An Introduction to Molecular Dynamics

    13 Nov 2008 | | Contributor(s):: Alejandro Strachan

  14. MUKTI RANJAN MOHAPATRA

    https://nanohub.org/members/179230

  15. Multiscale Methods to Simulate and Predict Membrane Organization: atomistic molecular dynamics to mean field Langevin dynamics

    08 Aug 2008 | | Contributor(s):: Larry H. Scott, Omar N Sobh

    There is considerable interest in the lateral organization of biological membranes. While membrane proteins obviously influence on the localized properties of membranes, the lipids themselves also can self-organize within the bilayer. Computational models can complement the growing body of...

  16. 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...

    https://nanohub.org/events/details/1433

  17. 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...

    https://nanohub.org/wiki/MaterialScienceSimulationTools

  18. Ripples and Warping of Graphene: A Theoretical Study

    19 May 2010 | | Contributor(s):: Umesh V. Waghmare

    We use first-principles density functional theory based analysis to understand formation of ripples in graphene and related 2-D materials. For an infinite graphene, we show that ripples are linked with a low energy branch of phonons that exhibits quadratic dispersion at long wave-lengths. Many...

  19. 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 Diefes-Dux

    This document is an updated (Fall 2015) sophomore materials science and engineering tensile testing laboratory handout that introduces students to the atomic-level processes that are responsible for plastic deformation. By performing standard tensile tests on a ductile metal in conjunction with...

  20. 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 Diefes-Dux

    This document is a sophomore materials science and engineering tensile testing laboratory handout (Fall 2014) that introduces students to the atomic-level processes that are responsible for plastic deformation. By performing standard tensile tests on a ductile metal in conjunction with...