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• Application Experts
  *Application expert in computational chemistry ...eld covering applications within organic chemistry, biochemistry, and life science
  5 KB (702 words) - 13:38, 8 July 2011
• VASP
  |fields=Computational materials science; Computational chemistry ...GENAME}} |?description}}. It is commonly used in the physics and materials science communities.
  2 KB (234 words) - 14:31, 13 September 2011
• ASE
  |fields=Computational materials science
  511 bytes (62 words) - 12:25, 12 September 2011
• LAMMPS
  |fields=Molecular dynamics; Computational materials science
  552 bytes (64 words) - 12:31, 12 September 2011
• SIESTA
  |fields=Computational materials science; Computational chemistry
  661 bytes (82 words) - 12:35, 12 September 2011
• OpenFOAM
  |fields=Computational fluid dynamics ...scription}}. It has a large user base across most areas of engineering and science, from both commercial and academic organisations. OpenFOAM has an extensive
  2 KB (256 words) - 12:33, 12 September 2011
• CPMD
  |fields=Computational materials science; Computational chemistry
  470 bytes (52 words) - 15:09, 19 September 2011
• TAU
  |fields=Performance optimisation; Parallel programming; Computational science
  953 bytes (125 words) - 08:25, 24 September 2012
• UPPMAX
  Uppsala Multidisciplinary Center for Advanced Computational Science (UPPMAX) is located at Uppsala University.
  455 bytes (51 words) - 14:27, 18 September 2013
• C3SE
  Chalmers Centre for Computational Science and engineering (C3SE) is located at Chalmers University of Technology.
  461 bytes (55 words) - 09:06, 6 November 2013
• ABINIT
  |fields=Computational materials science; Computational chemistry
  591 bytes (72 words) - 12:24, 12 September 2011
• CP2K
  |fields=Computational materials science; Computational chemistry
  603 bytes (74 words) - 12:25, 12 September 2011
• Dacapo
  |fields=Computational materials science; Computational chemistry
  501 bytes (57 words) - 15:24, 19 September 2011
• GPAW
  |fields=Computational materials science; Computational chemistry
  576 bytes (69 words) - 12:29, 12 September 2011
• Quantum Espresso
  |fields=Computational materials science; Computational chemistry
  703 bytes (79 words) - 12:34, 12 September 2011
• Comsol
  |fields=Computational materials science ; Computational fluid dynamics
  653 bytes (77 words) - 13:50, 11 January 2012
• ESPResSo
  |fields=Computational materials science; Computational chemistry
  606 bytes (76 words) - 12:27, 12 September 2011
• OpenMX
  |fields=Computational materials science; Computational chemistry
  522 bytes (60 words) - 12:34, 12 September 2011
• Octopus
  |fields=Computational materials science; Computational chemistry
  512 bytes (64 words) - 13:54, 20 September 2011
• GAMESS
  |fields=Computational materials science; Computational chemistry
  781 bytes (102 words) - 15:58, 8 February 2012
• Meep
  |fields=Computational materials science
  455 bytes (54 words) - 15:25, 19 September 2011
• MOLDEN
  |fields=Computational materials science; Computational chemistry
  608 bytes (76 words) - 13:40, 21 September 2011
• P4VASP
  |fields=Computational materials science; Computational chemistry
  668 bytes (82 words) - 14:01, 21 September 2011
• WIEN2k
  |fields=Computational materials science; Computational chemistry
  1 KB (222 words) - 16:03, 11 October 2011
• Exciting-code
  |fields=Computational materials science; Computational chemistry
  951 bytes (113 words) - 11:28, 11 October 2011
• Elk
  |fields=Computational materials science; Computational chemistry
  821 bytes (98 words) - 12:25, 14 October 2011
• Projects
  == Ongoing projects in computational science == ...ategory:Project]] [[project active::true]] [[field::Category:Computational science]]
  790 bytes (89 words) - 07:53, 4 June 2012
• Synthetic Benchmark on Curie
  |fields=Computational science
  2 KB (268 words) - 10:09, 17 September 2013
• Petascaling enabling and support for EC-EARTH3
  |fields=Computational science
  591 bytes (83 words) - 10:51, 23 April 2013
• Improving MPI communication latency on euroben kernels
  |fields=Computational science
  2 KB (226 words) - 10:52, 23 April 2013
• Portability performance analysis and improvement of ESM
  |fields=Computational science
  711 bytes (106 words) - 10:52, 23 April 2013
• Test suite for VASP
  |fields=Computational materials science
  801 bytes (119 words) - 09:45, 13 March 2012
• CodeRefinery Workshop on Sustainable Scientific Software Development (February 2017)
  |fields=Computational Science
  1 KB (179 words) - 10:51, 2 November 2016
• NSC GPU and Accelerator Pilot
  |fields=Computational science
  2 KB (239 words) - 12:11, 7 October 2013
• Parallelization of a materials science code
  |description=Parallelization request for a materials science code |fields=Computational science; Computational materials science
  1 KB (244 words) - 08:18, 28 February 2020
• FFTW
  |fields=Computational science; Performance library ...ms at run time and choosing the best performing one. To achieve its high computational speed latest version supports the [[SSE]] and [[AVX]] instructions of the l
  2 KB (234 words) - 16:59, 14 September 2012
• Scalasca
  |fields=Performance optimisation; Parallel programming; Computational science
  2 KB (233 words) - 17:05, 21 September 2012
• Parallel Programming Education
  |fields=Computational science; HPC training
  742 bytes (102 words) - 07:59, 30 April 2014
• RSPt
  |fields=Computational materials science
  599 bytes (71 words) - 06:59, 21 April 2016
• Yambo
  |fields=Computational materials science; Computational chemistry
  725 bytes (94 words) - 10:46, 14 March 2013
• Greens
  |fields=Computational materials science
  1,012 bytes (132 words) - 13:00, 14 March 2013
• EMTO
  |fields=Computational materials science
  812 bytes (106 words) - 14:18, 14 March 2013
• EMTOx
  |fields=Computational materials science
  852 bytes (111 words) - 13:31, 14 March 2013
• CASTEP
  |fields=Computational materials science; Computational chemistry
  1 KB (170 words) - 15:44, 14 March 2013
• FEFF
  |fields=Computational materials science; Computational chemistry
  1 KB (179 words) - 09:27, 20 March 2013
• Dalton CPP-LR parallelization
  |fields=Computational science; Computational chemistry * [https://www.ifm.liu.se/theomod/compphys/panor.xml Prof. Patrick Norrman, Computational Physics, IFM - Linköping University]
  1 KB (163 words) - 10:29, 27 March 2015
• Parallel I/O Implementation on the Multiple Sequence Alignment Software ClustalW-MPI
  |fields=Computational science; Bioinformatics
  2 KB (246 words) - 15:42, 27 February 2020
• Comparative study of major ab initio software for materials science
  |description=Comparing major ab initio software for materials science |fields=Computational materials science
  788 bytes (115 words) - 13:13, 22 April 2013
• PRACE WP12: Network topology analysis and efficient collective design
  |fields=Computational science
  317 bytes (39 words) - 10:28, 27 March 2015
• Performance Benchmark of NEMO Oceanography Code
  |fields=Computational science; Climate research
  1 KB (149 words) - 10:17, 17 September 2013

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