Main Page

Welcome to the SNIC knowledge base and documentations site.

NOTE: This site is under constant development and is still in the early days of it's existence!

The aim of this page is that you should be able to get information, help, tips-and-tricks, etc. regarding the most widely used computational tools.

Application Experts

• Torben Rasmussen, NSC
• Johan Raber, NSC
• Chandan Basu, NSC
• Joel Hedlund, NSC
• Jonathan Vincent, PDC
• ... ...

Scientific Topics

Computational Chemistry

Computational Chemistry is the tool of choice when studying aspects of chemical and thermodynamical phenomena not easily studied by experimental means. Examples include ...

Prominent Software

• Quantum Chemistry
  1. Gaussian
  2. NWChem

• Molecular Dynamics
  1. GROMACS
  2. Namd
  3. Amber

• Monte Carlo Thermodynamics
• QSAR

Computational Physics

Prominent Software

Condensed Matter

• VASP

Bioinformatics

• Sequence analysis
• Computational evolutionary biology
• Docking
• Molecular Modeling

Meteorology and Climatology

• ECEARTH
• RCA
• RCO
• NEMO

Visualization and post-processing

• Grace
• Gnuplot

Software Development

• Compilers and Libraries
  1. Intel, PGI, GNU Compilers
  2. MPI
  3. BLAS
  4. MKL
• Profiling and Debugging
  1. TotalView
  2. Vampir
  3. Valgrind
  4. Intel trace analyzer

Using This Wiki

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