Radovan Bast
High Performance Computing Group
UiT The Arctic University of Norway
When the limestone of imperative programming is worn away,
Simon Peyton Jones
the granite of functional programming will be observed.
Projects
Most of them are open-source. Just fork, clone, and contribute!
Science
Relativistic electronic structure theory
Density functional theory
Response theory
Molecular response properties
Nonlinear optical properties
Parity violation
Visualization
SYMBIOSES
The objective of the SYMBIOSES project is to create an ecosystem based impact assessment and management tool providing fact-based, quantitative analyses of the potential consequences of petroleum developments and other activities in spatially managed ecosystems, mainly focusing on the Lofoten-Vesterålen area.
Autocmake
CMake plugin composer.
Obara-Saika
Obara-Saika integral code sandbox.
Other contributions
XCint
Exchange-correlation integrator.
DIRAC
Program for Atomic and Molecular Direct Iterative Relativistic All-electron Calculations.
OpenRSP
Program for the open-ended calculation of response properties. It connects to response equation solution routines, routines for differentiated one-electron and two-electron integral contributions, and routines for exchange/correlation contributions to enable the calculation of response properties to arbitrary order.
Runtest
Numerically tolerant test library for scientific codes.
Angstrom-Bohr
Angstrom to Bohr and Bohr to Angstrom conversion without commercials.
Space Invaders
A classic game. Unfinished fun project for teaching programming. Also useful for procrastinating something else.
Testboard
CDash hosting for scientific projects.
Dalton and LSDalton
Together, the two programs provide an extensive functionality for the calculations of molecular properties at the HF, DFT, MCSCF, and CC levels of theory.
THUG
Tromsø Haskell Users Group.
GPUnCH
Quantum chemistry code for modern hardware with punch.
Numgrid
Numerical integration grid for molecules.
Gitink
ASCII to SVG Git log graph visualizer. Useful for teaching Git.
reFreeze
Markdown web slides served cold. Freeze and thaw Markdown to HTML with Remark and (Frozen) Flask and serve via GitHub pages.
Cicero
Serving Great Presentations Since 2015. You do the talking, Cicero does the rendering and serving.