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. Marius Stan

    https://nanohub.org/members/156713

  2. OpenKIM Explorer

    09 Jun 2015 | | Contributor(s):: Dan Karls, Benjamin P Haley, Alejandro Strachan, Ryan S Elliott, Ellad B Tadmor

    Run interatomic potentials from the OpenKIM Repository in LAMMPS

  3. Cu nanowire tensile tests - Multiple orientations

    Collections | 24 Oct 2016 | Posted by Sam Reeve

    https://nanohub.org/groups/materials/collections/saved-materials-science-runs

  4. Coarse Graining of Crystalline Cellulose

    29 Jul 2016 | | Contributor(s):: Kuo Tian, Mehdi Shishehbor, Pablo Daniel Zavattieri

    Bio-inspired Crystalline Nano-Cellulose coarse graining toolkit

  5. Vikram Jadhao

    https://nanohub.org/members/155430

  6. Michael Worku

    https://nanohub.org/members/150665

  7. Zoomed in: Atoms in a cube of Ni from 10K to 2500K

    Collections | 10 Aug 2016 | Posted by Tanya Faltens

    https://nanohub.org/members/29294/collections/visualizations-for-materials-science

  8. Vasily Zhakhovsky

    https://nanohub.org/members/147500

  9. Jun 26 2016

    nanoHUB Materials Simulation Workshop

    U236·SUNDAY WORKSHOP: Enhancing Student Learning of Atomic Structure and Properties with nanoHUB Simulation Tools - Constructing Concepts from the Bottom...

    https://nanohub.org/events/details/1472

  10. Paolo Sanvito

    Electronic Engineer I.E.E.E. former member, Designer , an important Patent Granted through an innovative modulation in the field of the Energy Conversion . Researcher

    https://nanohub.org/members/145329

  11. Exploring Materials Properties with Nanomaterial Mechanics Explorer Structure Files

    24 Mar 2016 | | Contributor(s):: Tanya Faltens

    This document describes how to generate and download simulation output files from the Nanomaterial Mechanics Explorer on nanoHUB and view them locally using OVITO. This can be particularly useful for more advanced manipulations of the trajectory files, and for sharing files with others, such...

  12. LegoGen

    05 Feb 2016 | | Contributor(s):: Scott Michael Louis Slone, Chris Maffeo, AbderRahman N Sobh, Aleksei Aksimentiev

    Tool workflow for building DNA Brick structures automatically.

  13. 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

  14. Polymer Synthesis and Characterization in the Cloud: a nanoHUB Classroom Experience

    31 Aug 2015 | | Contributor(s):: Coray Colina

    In this talk, I’ll share the experience of teaching a junior undergraduate computational course in materials science and engineering, with over 70 participants. Both molecular and continuum methods were studied and applied to relevant materials problems. Students were able to build and...

  15. MD simulations of shock loading

    11 Jun 2015 | | Contributor(s):: edwin alberto antillon, Mitchell Anthony Wood, Mathew Joseph Cherukara, Alejandro Strachan

    Use MD simulation to study shocks in various materials including metals and energetics

  16. Molecular Exploration Tool

    01 Aug 2014 | | Contributor(s):: Xueying Wang, nicolas onofrio, Alejandro Strachan, David M Guzman

    The tool can display the molecule structures and run Lammps simulations.

  17. 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...

  18. Drew Fleming

    https://nanohub.org/members/133866

  19. Molecular Dynamics Showcase Builder

    09 Nov 2015 | | Contributor(s):: Michael McLennan, Nicholas K Kisseberth, George A. Howlett, Jim Slopsema, Aleksei Aksimentiev, Chen-Yu Li

    Tool to create showcases for the Molecular Dynamics Showcase viewer.

  20. Atomistic Modeling: Past, Present, and Future, MGI, ICME, etc.

    03 Nov 2015 | | Contributor(s):: Paul Saxe

    I will present a perspective on atomistic modeling — tools using quantum methods such as DFT, as well as molecular dynamics and Monte Carlo methods based on forcefields — over the past 30 years or so. While we are all caught up in the present, it is important to remember and realize...