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. 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

  2. Frederick R Phelan Jr.

    https://nanohub.org/members/82987

  3. Ahmed-Amine Homman

    https://nanohub.org/members/82074

  4. 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

  5. Rafael Ignacio Gonzalez

    https://nanohub.org/members/81832

  6. [Illinois] Molecular and Multiscale Simulation Summer School

    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...

  7. miguel angel Gregorio

    https://nanohub.org/members/81676

  8. YI ZHANG

    https://nanohub.org/members/81272

  9. 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...

  10. Joshua Obodo

    https://nanohub.org/members/79273

  11. Seyed Arash sheikholeslam

    https://nanohub.org/members/78029

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

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

  13. Yanbao Ma

    https://nanohub.org/members/74545

  14. [Illinois] Coarse-grained Simulation of Ion Channels

    29 Dec 2012 | | Contributor(s):: Umberto Ravaioli

    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...

  15. Asif iqbal bhatti

    https://nanohub.org/members/74065

  16. [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...

  17. [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 science Subtitle: 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...

  18. Prakhar Gupta

    https://nanohub.org/members/71891

  19. Katrin Stöbener

    https://nanohub.org/members/69434

  20. Two-temperature Non-equilibrium Molecular Dynamics Simulator

    26 Jul 2012 | | Contributor(s):: Yan Wang, Xin Jin, Xiulin Ruan

    Simulate electron-phonon coupled thermal transport across metal-nonmetal interface