Tags: molecular dynamics (MD)

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Description

Molecular dynamics is a form of computer simulation in which atoms and molecules are allowed to interact for a period of time by approximations of known physics, giving a view of the motion of the particles. This kind of simulation is frequently used in the study of proteins and biomolecules, as well as in materials science. More information on Molecular dynamics can be found here.

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  1. Designing meaningful MD simulations: The lithiation of Silicon

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

  2. Jeffrey Roshan De Lile

    https://nanohub.org/members/99467

  3. Marco Marín Suárez

    https://nanohub.org/members/98339

  4. BENLALA Slimane

    https://nanohub.org/members/97097

  5. Rajesh Jha

    https://nanohub.org/members/94783

  6. rajesh prasanth

    https://nanohub.org/members/89990

  7. Molecular Dynamics Showcase

    Tools | 06 Jul 2013 | Contributor(s):: Michael McLennan, Chen-Yu Li, john stone, Aleksei Aksimentiev, George A. Howlett

    View interesting features of a molecular dynamics trajectory file

  8. Resources for Materials Science and Engineering

    Wiki

    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

  9. Majid Mortazavi

    https://nanohub.org/members/89172

  10. Vikram Kulkarni

    Bachelor of Science: Carnegie Mellon University 2010.Master of Science: Rice University 2013.

    https://nanohub.org/members/88100

  11. [Illinois] Physics 550 Biomolecular Physics

    Courses | 03 Sep 2013 | Contributor(s):: Klaus Schulten, Taekjip Ha

      Physical concepts governing the structure and function of biological macromolecules; general properties, spatial structure, energy levels, dynamics and functions, and relation to other complex physical systems such as glasses; recent research in biomolecular physics;...

  12. Roberto Rivelino

    I’m Roberto Rivelino, Associate Professor of Physics at Federal University of Bahia, Salvador, Bahia, Brazil. My research interests are in molecular and condensed matter physics. Currently, I...

    https://nanohub.org/members/86640

  13. Sam Reeve

    My research focuses on atomistic and microstructural simulations and uncertainty quantification (UQ). I have created multiple nanoHUB tools enabling atomistic simulations for materials research and...

    https://nanohub.org/members/85981

  14. Tonya Williams Stone

    I am currently an assistant professor of mechanical engineering (ME) at Mississippi State University (MSU).After earning my BSME degree from MSU, I worked for 8 years at engineering offices of The...

    https://nanohub.org/members/85600

  15. Crystalline Cellulose - Atomistic Toolkit

    Tools | 17 Jul 2013 | Contributor(s):: Mateo Gómez Zuluaga, Robert J. Moon, Fernando Luis Dri, Pablo Daniel Zavattieri

    Crystalline Cellulose - Atomistic Toolkit

  16. Frederick R Phelan Jr.

    https://nanohub.org/members/82987

  17. Ahmed-Amine Homman

    https://nanohub.org/members/82074

  18. 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 scattering...

    https://nanohub.org/members/81944

  19. Rafael Ignacio Gonzalez

    https://nanohub.org/members/81832

  20. [Illinois] Molecular and Multiscale Simulation Summer School

    Series | 08 May 2013 | Contributor(s):: NanoBio Node

    This Summer School will train students in molecular simulation and simulation at multiple time and length scales. Instruction will be provided on quantum Monte Carlo simulation, molecular dynamics, coarse-grained simulations, and multiscale simulations with opportunities for hands-on experience...