Category-3AComputational chemistry
type: Ontology
creation date: 2025-12-07T08:01:42+00:00
imports: http://semantic-mediawiki.org/swivt/1.0

Computational chemistry
type: Class
page: http://docs.snic.se/wiki/Category-3AComputational_chemistry
wiki namespace: 14
wiki page content language: en
description: application of computer science methods to solve chemical problems
parent category: Category:Field
parent category: Category:Research area
wiki page modification date: 2012-03-12T14:42:27Z
modification date#aux: 2455999.1128125
wiki page sort key: Computational chemistry
subclass of: Category:Field
subclass of: Category:Research area

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ABINIT
type: Subject
page: http://docs.snic.se/wiki/ABINIT
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: ABINIT
type: Computational chemistry

Amber
type: Subject
page: http://docs.snic.se/wiki/Amber
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: Amber
type: Computational chemistry

CASTEP
type: Subject
page: http://docs.snic.se/wiki/CASTEP
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: CASTEP
type: Computational chemistry

CP2K
type: Subject
page: http://docs.snic.se/wiki/CP2K
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: CP2K
type: Computational chemistry

CPMD
type: Subject
page: http://docs.snic.se/wiki/CPMD
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: CPMD
type: Computational chemistry

Charmm
type: Subject
page: http://docs.snic.se/wiki/Charmm
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: Charmm
type: Computational chemistry

Computer-Aided Drug Design
type: Subject
page: http://docs.snic.se/wiki/Computer-2DAided_Drug_Design
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: Computer-Aided Drug Design
type: Computational chemistry

Dacapo
type: Subject
page: http://docs.snic.se/wiki/Dacapo
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: Dacapo
type: Computational chemistry

Dalton
type: Subject
page: http://docs.snic.se/wiki/Dalton
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: Dalton
type: Computational chemistry

Dalton CPP-LR parallelization
type: Subject
page: http://docs.snic.se/wiki/Dalton_CPP-2DLR_parallelization
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: Dalton CPP-LR parallelization
type: Computational chemistry

Desmond
type: Subject
page: http://docs.snic.se/wiki/Desmond
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: Desmond
type: Computational chemistry

ESPResSo
type: Subject
page: http://docs.snic.se/wiki/ESPResSo
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field: Computational chemistry
wiki page sort key: ESPResSo
type: Computational chemistry

Elk
type: Subject
page: http://docs.snic.se/wiki/Elk
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: Elk
type: Computational chemistry

Exciting-code
type: Subject
page: http://docs.snic.se/wiki/Exciting-2Dcode
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: Exciting-code
type: Computational chemistry

FEFF
type: Subject
page: http://docs.snic.se/wiki/FEFF
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: FEFF
type: Computational chemistry

GAMESS
type: Subject
page: http://docs.snic.se/wiki/GAMESS
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: GAMESS
type: Computational chemistry

GPAW
type: Subject
page: http://docs.snic.se/wiki/GPAW
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: GPAW
type: Computational chemistry

GROMACS
type: Subject
page: http://docs.snic.se/wiki/GROMACS
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: GROMACS
type: Computational chemistry

Gaussian
type: Subject
page: http://docs.snic.se/wiki/Gaussian
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: Gaussian
type: Computational chemistry

Jaguar
type: Subject
page: http://docs.snic.se/wiki/Jaguar
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: Jaguar
type: Computational chemistry

User:Johan Raber (NSC)
type: Subject
page: http://docs.snic.se/wiki/User-3AJohan_Raber_-28NSC-29
wiki namespace: 2
wiki page content language: en
field: Computational chemistry
wiki page sort key: Johan Raber (NSC)
type: Computational chemistry

MOLDEN
type: Subject
page: http://docs.snic.se/wiki/MOLDEN
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: MOLDEN
type: Computational chemistry

MPQC
type: Subject
page: http://docs.snic.se/wiki/MPQC
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: MPQC
type: Computational chemistry

User:Michael Stenrup (UPPMAX)
type: Subject
page: http://docs.snic.se/wiki/User-3AMichael_Stenrup_-28UPPMAX-29
wiki namespace: 2
wiki page content language: en
field: Computational chemistry
wiki page sort key: Michael Stenrup (UPPMAX)
type: Computational chemistry

Molsim
type: Subject
page: http://docs.snic.se/wiki/Molsim
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: Molsim
type: Computational chemistry

NAMD
type: Subject
page: http://docs.snic.se/wiki/NAMD
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: NAMD
type: Computational chemistry

Octopus
type: Subject
page: http://docs.snic.se/wiki/Octopus
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: Octopus
type: Computational chemistry

User:Olav Vahtras (PDC)
type: Subject
page: http://docs.snic.se/wiki/User-3AOlav_Vahtras_-28PDC-29
wiki namespace: 2
wiki page content language: en
field: Computational chemistry
wiki page sort key: Olav Vahtras (PDC)
type: Computational chemistry

OpenMX
type: Subject
page: http://docs.snic.se/wiki/OpenMX
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: OpenMX
type: Computational chemistry

P4VASP
type: Subject
page: http://docs.snic.se/wiki/P4VASP
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: P4VASP
type: Computational chemistry

Parallel FFTs in Molsim
type: Subject
page: http://docs.snic.se/wiki/Parallel_FFTs_in_Molsim
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: Parallel FFTs in Molsim
type: Computational chemistry

Performance Analysis of ad OSS Program
type: Subject
page: http://docs.snic.se/wiki/Performance_Analysis_of_ad_OSS_Program
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: Performance Analysis of ad OSS Program
type: Computational chemistry

Pymol
type: Subject
page: http://docs.snic.se/wiki/Pymol
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: Pymol
type: Computational chemistry

Quantum Espresso
type: Subject
page: http://docs.snic.se/wiki/Quantum_Espresso
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: Quantum Espresso
type: Computational chemistry

User:Radovan Bast (PDC)
type: Subject
page: http://docs.snic.se/wiki/User-3ARadovan_Bast_-28PDC-29
wiki namespace: 2
wiki page content language: en
field: Computational chemistry
wiki page sort key: Radovan Bast (PDC)
type: Computational chemistry

SIESTA
type: Subject
page: http://docs.snic.se/wiki/SIESTA
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: SIESTA
type: Computational chemistry

User:Torben Rasmussen (NSC)
type: Subject
page: http://docs.snic.se/wiki/User-3ATorben_Rasmussen_-28NSC-29
wiki namespace: 2
wiki page content language: en
field: Computational chemistry
wiki page sort key: Torben Rasmussen (NSC)
type: Computational chemistry

VASP
type: Subject
page: http://docs.snic.se/wiki/VASP
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: VASP
type: Computational chemistry

WIEN2k
type: Subject
page: http://docs.snic.se/wiki/WIEN2k
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: WIEN2k
type: Computational chemistry

Yambo
type: Subject
page: http://docs.snic.se/wiki/Yambo
wiki namespace: 0
wiki page content language: en
field: Computational chemistry
wiki page sort key: Yambo
type: Computational chemistry

Field
type: ObjectProperty
page: http://docs.snic.se/wiki/Property-3AField
wiki namespace: 102
wiki page content language: en
wiki page sort key: Field
type: wpg

INST
type: DatatypeProperty
page: http://docs.snic.se/wiki/Property-3A_INST
wiki namespace: 102
wiki page content language: en
wiki page sort key: INST