Tags: molecular dynamics

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.

All Categories (61-80 of 180)

  1. 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

  2. Vikram Kulkarni

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

    http://nanohub.org/members/88100

  3. [Illinois] Physics 550 Biomolecular Physics

    05 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; physical...

  4. 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...

    http://nanohub.org/members/86640

  5. Sam Reeve

    My research focuses on molecular dynamics (MD) simulations and uncertainty quantification. I developed functional uncertainty quantification (FunUQ) for MD in order to quantify and understand...

    http://nanohub.org/members/85981

  6. 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

  7. Frederick R Phelan Jr.

    http://nanohub.org/members/82987

  8. Ahmed-Amine Homman

    http://nanohub.org/members/82074

  9. YI ZHANG

    http://nanohub.org/members/81272

  10. Polymatic: A Simulated Polymerization Algorithm

    13 Mar 2013 | | Contributor(s):: Lauren Abbott, Coray Colina

    Polymatic is a set of codes for structure generation of amorphous polymers by a simulated polymerization algorithm. The main task of Polymatic is to perform polymerization steps within a system based on a number of defined bonding criteria. It works in conjunction with a simulation package to...

  11. Seyed Arash sheikholeslam

    http://nanohub.org/members/78029

  12. [Illinois] PHYS466 2013 Lecture 4: Molecular Dynamics I

    03 Feb 2013 | | Contributor(s):: David M. Ceperley

  13. Asif iqbal bhatti

    http://nanohub.org/members/74065

  14. [Illinois] Beckman Graduate Seminar: Membrane Sculpting by F-BAR Domains Studied by Molecular Dynamics Simulations

    17 Dec 2012 | | Contributor(s):: Hang Yu

    Interplay between cellular membranes and their peripheral proteins drives many processes in eukaryotic cells. Proteins of the Bin/Amphiphysin/Rvs (BAR) domain family, in particular, play a role in cellular morphogenesis, for example curving planar membranes into tubular membranes. However, it is...

  15. [Illinois] CSE Seminar Series: Advances in First-principles Computational Materials Science

    20 Nov 2012 | | Contributor(s):: Elif Ertekin

    Title: Advances in first-principles computational materials scienceSubtitle: Things we can calculate now, that we couldn't when I was in grad school.The capability to rationally design new materials with tailored properties and functionality on a computer remains a grand challenge whose success...

  16. Katrin Stöbener

    http://nanohub.org/members/69434

  17. Ben Szajewski

    http://nanohub.org/members/69376

  18. Yao Li

    applied physics, material simulation

    http://nanohub.org/members/69367

  19. Nicolas Torres

    http://nanohub.org/members/68656

  20. Chi-Chin Wu

    http://nanohub.org/members/68529