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  • 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
  • CPMD
    |fields=Computational materials science; Computational chemistry
    470 bytes (52 words) - 15:09, 19 September 2011
  • 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
  • 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
  • Jaguar
    |fields= Computational chemistry
    440 bytes (51 words) - 12:30, 12 September 2011
  • Charmm
    |fields=Computational chemistry
    481 bytes (57 words) - 18:06, 9 September 2011
  • Octopus
    |fields=Computational materials science; Computational chemistry
    512 bytes (64 words) - 13:54, 20 September 2011
  • GAMESS
    |description=ab initio quantum chemistry |fields=Computational materials science; Computational chemistry
    781 bytes (102 words) - 15:58, 8 February 2012
  • MPQC
    |description=ab initio quantum chemistry |fields=Computational chemistry
    514 bytes (67 words) - 15:41, 19 September 2011
  • Amber
    |fields=Computational chemistry; Molecular dynamics
    388 bytes (45 words) - 13:51, 20 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
  • NAMD
    |fields=Computational chemistry; Molecular dynamics
    660 bytes (81 words) - 14:44, 27 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
  • Pymol
    |fields=Structural biology;Visualisation;Computational chemistry
    407 bytes (43 words) - 07:01, 4 June 2013
  • Molsim
    |fields=Computational chemistry
    374 bytes (39 words) - 15:55, 14 September 2012
  • Parallel FFTs in Molsim
    |fields=Computational chemistry
    1 KB (142 words) - 16:38, 14 September 2012
  • Desmond
    |fields=Molecular dynamics; Computational chemistry
    550 bytes (69 words) - 09:48, 23 January 2013
  • Yambo
    |fields=Computational materials science; Computational chemistry
    725 bytes (94 words) - 10:46, 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
    1 KB (163 words) - 10:29, 27 March 2015
  • Computer-Aided Drug Design
    |fields=Computational science; Computational chemistry
    829 bytes (119 words) - 13:41, 15 October 2014
  • SeRC annual meeting 2013
    ..._(NSC)|Johan Raber]]<br>([[:Category:Computational chemistry|Computational chemistry]]) ...)|Torben Rasmussen]]<br>([[:Category:Computational chemistry|Computational chemistry]])
    3 KB (316 words) - 12:29, 24 April 2013
  • Performance Analysis of ad OSS Program
    |fields=Computational science; Computational chemistry
    877 bytes (124 words) - 12:43, 9 October 2013
  • MD Course at HPC2N, Umeå, June 2016
    |description=Computational Chemistry - MD Simulations in Umeå This one day course is an introduction to Computational Chemistry and MD Simulations, with half of the time dedicated to running GROMACS at H
    1 KB (163 words) - 08:08, 28 February 2020
  • Schrödinger Molecular Modelling Workshop at HPC2N (29 March 2017)
    |fields=Parallel programming;Computational science; Chemistry
    920 bytes (127 words) - 09:08, 28 February 2020
  • Online training materials
    === CHARMM (Chemistry at HARvard Macromolecular Mechanics) ===
    8 KB (1,130 words) - 12:24, 6 April 2020
  • MD/CHARMM course at HPC2N (4 May 2017)
    |description=Computational Chemistry - MD/CHARMM course in Umeå This one day course is an introduction to Computational Chemistry and MD Simulations, with half of the time dedicated to running CHARMM at HP
    1 KB (144 words) - 08:33, 28 February 2020
  • 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
  • Gaussian Workshop, HPC2N, 14-15 May 2018
    * Model Chemistry Review
    999 bytes (141 words) - 08:17, 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

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