Directory of Molecular Dynamics Resources

Home > Science > Chemistry > Computational > Molecular Dynamics

Molecular dynamics here deals with computer simulations that model atomic systems through Newtonian mechanics.

Subcategories

• Tutorials

Resources in This Category

• Molecular Dynamics

  http://www.fisica.uniud.it/~ercolessi/md/
  Includes an extensive tutorial, with sample programs in Fortran 90, and links to software packages.

• Molecular Dynamics

  http://www.cs.sandia.gov/~sjplimp/md.html
  Focuses on parallel molecular dynamics: algorithms, benchmark timings, codes and simulation results. Includes several article references.

• Rapaport, Dennis C

  http://www.ph.biu.ac.il/~rapaport/
  Includes table of contents for his book, java applets for related courses, and articles on the development of this subject

• The Fritz Haber Center for Molecular Research

  http://www.fh.huji.ac.il/
  The primary objectives of the center are to support research in molecular dynamics and encourage cooperation between German and Israeli scientists. The center supports theoretical researches in all branches of chemical physics and biophysics.

• The MD Group

  http://md.chem.rug.nl/
  The MD Group is concerned with molecular and mesoscopic dynamics simulation studies of complex biomolecular systems such as biopolymers and lipid aggregates.

 

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