Tags: molecular dynamics (MD)

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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. Molecular Workbench: An Interface to the Molecular World

    5.0 out of 5 stars 

    Downloads | 25 Jun 2006 | Contributor(s):: Charles Xie

    The Molecular Workbench software is a free, open-source modeling and authoring program specifically designed for use in science education. Powered by a set of real-time molecular simulation engines that compute and visualize the motion of particles interacting through force fields, in both 2D and...

  2. MOLpull: A tool for molecular free energy reconstruction along a pulling coordinate

    0.0 out of 5 stars 

    Tools | 24 Aug 2010 | Contributor(s):: Lisa Felberg, Ignacio Franco, Martin McCullagh, Mark Ratner, George C. Schatz, Marcelo Carignano

    Estimates the force required for stretching a molecule and determines the potential of mean force along the extension coordinate.

  3. Mostopha Muhammad Labib

    https://nanohub.org/members/203896

  4. MSE 498 Lesson 10: MD

    0.0 out of 5 stars 

    Online Presentations | 16 Mar 2015 | Contributor(s):: Andrew Ferguson

    This new course will give students hands-on experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., Thermo-Calc), finite...

  5. MSE 498 Lesson 11: MD

    0.0 out of 5 stars 

    Online Presentations | 16 Mar 2015 | Contributor(s):: Andrew Ferguson

    This new course will give students hands-on experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., Thermo-Calc), finite...

  6. MSE 498 Lesson 12: MD

    0.0 out of 5 stars 

    Online Presentations | 16 Mar 2015 | Contributor(s):: Andrew Ferguson

    This new course will give students hands-on experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., Thermo-Calc), finite...

  7. MSE 498 Lesson 13: MD

    0.0 out of 5 stars 

    Online Presentations | 16 Mar 2015 | Contributor(s):: Andrew Ferguson

    This new course will give students hands-on experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., Thermo-Calc), finite...

  8. MSE 498 Lesson 14: MD

    0.0 out of 5 stars 

    Online Presentations | 16 Mar 2015 | Contributor(s):: Andrew Ferguson

    This new course will give students hands-on experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., Thermo-Calc), finite...

  9. MSE 498 Lesson 15: MD

    0.0 out of 5 stars 

    Online Presentations | 16 Mar 2015 | Contributor(s):: Andrew Ferguson

    This new course will give students hands-on experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., Thermo-Calc), finite...

  10. MSE 597G An Introduction to Molecular Dynamics

    4.5 out of 5 stars 

    Courses | 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...

  11. MSE 597G Lecture 1: Classical Mechanics

    0.0 out of 5 stars 

    Online Presentations | 11 Nov 2008 | Contributor(s):: Alejandro Strachan

    Basic physics: classical mechanics

  12. MSE 597G Lecture 2: Statistical Mechanics I

    0.0 out of 5 stars 

    Online Presentations | 11 Nov 2008 | Contributor(s):: Alejandro Strachan

    Basic physics: statistical mechanics.

  13. MSE 597G Lecture 3: Statistical Mechanics II

    0.0 out of 5 stars 

    Online Presentations | 14 Nov 2008 | Contributor(s):: Alejandro Strachan

    Basic physics: statistical mechanics, Algorithms: Integrating the equations of motion.

  14. MSE 597G Lecture 4: Interatomic potentials I

    0.0 out of 5 stars 

    Online Presentations | 14 Nov 2008 | Contributor(s):: Alejandro Strachan

    Interatomic potentials: pairwise potentials.

  15. MSE 597G Lecture 5: Interatomic potentials II

    0.0 out of 5 stars 

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

    Embedded atom model for metals,Three body terms for semiconductors: Stillinger-Weber,Electrostatics and Covalent interactions.

  16. MSE 597G Lecture 6: Interatomic potentials III

    0.0 out of 5 stars 

    Online Presentations | 12 Nov 2008 | Contributor(s):: Alejandro Strachan

    Reactive force fields,Parameterization of interatomic potentials

  17. MSE 597G Lecture 7: Advanced Techniques for Molecular Dynamics Simulations

    0.0 out of 5 stars 

    Online Presentations | 12 Nov 2008 | Contributor(s):: Alejandro Strachan

    Thermostats and barostats,Linear methods for energy and force calculations,Coarse graining or mesodynamics,Validation and Verification.

  18. MSE 597G: An Introduction to Molecular Dynamics

    0.0 out of 5 stars 

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

  19. Muhammad Ihsan Ul Haq

    https://nanohub.org/members/162682

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

    0.0 out of 5 stars 

    Online Presentations | 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...