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• Category:Computational chemistry
  40 members (0 subcategories, 0 files) - 14:42, 12 March 2012
• Category talk:Computational chemistry
  790 bytes (140 words) - 13:47, 7 July 2011
• Computational Chemistry Course - MD Simulations, HPC2N, 20 November 2017
  |description=Course: Computational Chemistry - MD Simulations (NAMD) |fields=Programming; Chemistry; Simulations
  903 bytes (130 words) - 09:13, 28 February 2020
• Computational Chemistry - Enhanced Sampling MD Course at HPC2N (Ume, February 2018)
  |description=Computational Chemistry - Enhanced Sampling MD Course at HPC2N in Umeå
  864 bytes (131 words) - 08:19, 28 February 2020
• ENCCS/PDC VeloxChem Workshop: Quantum Chemistry from Laptop to HPC (May 2021)
  |description=ENCCS/PDC VeloxChem Workshop: Quantum Chemistry from Laptop to HPC |fields=VeloxChem; Quantum chemistry; High performance computing
  2 KB (258 words) - 14:51, 1 April 2021
• ENCCS/PDC VeloxChem Workshop: Quantum Chemistry Towards Pre-exascale and Beyond (March 2022)
  |description=ENCCS/PDC VeloxChem Workshop: Quantum Chemistry Towards Pre-exascale and Beyond |fields=VeloxChem; Quantum chemistry; High performance computing
  2 KB (310 words) - 08:55, 4 February 2022

Page text matches

• Gaussian
  |description=widely used quantum chemistry software |fields=Computational chemistry
  1 KB (196 words) - 13:53, 12 September 2011
• Application Experts
  *Application expert in computational chemistry ...postdoctoral experience in the field covering applications within organic chemistry, biochemistry, and life science
  5 KB (702 words) - 13:38, 8 July 2011
• GROMACS
  |fields=Molecular dynamics; Computational chemistry; Bioinformatics
  566 bytes (65 words) - 12:29, 12 September 2011
• Dalton
  |fields=Computational chemistry
  563 bytes (73 words) - 12:27, 12 September 2011
• VASP
  |fields=Computational materials science; Computational chemistry
  2 KB (234 words) - 14:31, 13 September 2011
• SIESTA
  |fields=Computational materials science; Computational chemistry
  661 bytes (82 words) - 12:35, 12 September 2011
• Electronic Structure Workshop (Linköping, March 2017)
  ...e area of electronic structure calculations (materials science and quantum chemistry), hosted at NSC, Linköping University, with presentations by application e
  1 KB (209 words) - 16:22, 27 February 2017
• User:Torben Rasmussen (NSC)
  |fields=Computational chemistry |general activities=Installation and support of computational chemistry software.
  1 KB (144 words) - 13:29, 4 February 2020
• User:Pedro Ojeda-May (HPC2N)
  |fields=Quantum Chemistry; Molecular dynamics; Machine learning |general activities=Training, HPC, Quantum Chemistry, Molecular dynamics, R, advanced support
  776 bytes (102 words) - 11:42, 11 June 2020
• User:Johan Raber (NSC)
  |fields=Computational chemistry * Maintain large portions of the Computational Chemistry software stack at NSC
  1 KB (205 words) - 11:34, 1 April 2020
• User:Joachim Hein (LUNARC)
  ...putational plasma physics (Applications: Centori, GS2, GEM), Computational chemistry (Applications: [[Siesta]], Castep, CP2K, [[GPAW]], [[Molsim]]), Computation
  2 KB (190 words) - 14:02, 30 January 2017
• Template:Get experts
  {{get experts|GROMAX|Category:Bioinformatics, Category:Computational chemistry}}
  1 KB (147 words) - 12:17, 8 July 2011
• Template:Set category list
  computational chemistry}}</nowiki>
  982 bytes (120 words) - 10:27, 8 July 2011
• CPMD
  |fields=Computational materials science; Computational chemistry
  470 bytes (52 words) - 15:09, 19 September 2011
• User:Elias Rudberg (UPPMAX)
  |other activities=Works 50% with method development research in computational chemistry and numerical quantum dynamics at the Division of Scientific Computing, Dep
  972 bytes (120 words) - 09:48, 8 October 2019
• User:Olav Vahtras (PDC)
  |fields=computational chemistry |other activities=Professor in theoretical chemistry
  645 bytes (86 words) - 11:12, 19 September 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

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