Matches in DBpedia 2016-04 for { <http://dbpedia.org/resource/List_of_quantum_chemistry_and_solid-state_physics_software> ?p ?o }
- List_of_quantum_chemistry_and_solid-state_physics_software abstract "Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry. Most include the Hartree–Fock (HF) and some post-Hartree–Fock methods. They may also include density functional theory (DFT), molecular mechanics or semi-empirical quantum chemistry methods. The programs include both open source and commercial software. Most of them are large, often containing several separate programs, and have been developed over many years.The following table illustrates the capabilities of the most versatile software packages that show an entry in two or more columns of the table.† \"Academic\": academic (no cost) license possible upon request; \"Commercial\": commercially distributed.‡ Support for periodic systems (3d-crystals, 2d-slabs, 1d-rods and isolated molecules): 3d-periodic codes always allow the simulation of systems with lower dimensionality within a supercell. Specified here is the capability for actual simulation within lower periodicity.1 The CAMPOS project (which includes Dacapo) states that all code is GPL. The Dacapo distribution itself does not contain any license information.2 QuanPol is a full spectrum and seamless (HF, MCSCF, GVB, MP2, DFT, TDDFT, CHARMM, AMBER, OPLSAA) QM/MM package integrated in GAMESS-US.3 Through Ascalaph4 Through interface to MOPAC5 Using exact exchange DFT6 Distributed with Quantum ESPRESSO7 Web service integrating MPQC.8 TeraChem is the first fully GPU-accelerated quantum chemistry software.9 Atomistix ToolKit also contains finite-bias NEGF electron transport calculations with open boundary conditions.10 Through CRYSCOR program.11 However, available in the Schrödinger Suite.12 SIESTA also contains finite-bias NEGF electron transport calculations with open boundary conditions using TranSIESTA".
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- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageExternalLink aimpro.ncl.ac.uk.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageExternalLink dft.physics.cornell.edu.
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- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageExternalLink qua.24500.
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- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageExternalLink ParaGauss.html.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageExternalLink nrlmol.html.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageExternalLink www.atelgraphics.com.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageExternalLink www.cryscor.unito.it.
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- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageExternalLink www.ergoscf.org.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageExternalLink www.fireball-dft.org.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageExternalLink andersen.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageExternalLink www.flapw.de.
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- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageExternalLink www.openmx-square.org.
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- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageExternalLink www.qmcpack.org.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageExternalLink www.quantum-espresso.org.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageExternalLink www.rspt.net.
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- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink ABINIT.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink ACES_(computational_chemistry).
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink AMPAC.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink _Commercial.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink Amsterdam_Density_Functional.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink Ascalaph_Designer.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink Assembly_language.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink Atomistix_ToolKit.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink Atompaw.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink Augmented_plane_wave_basis_set.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink BSD_licenses.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink Basis_set_(chemistry).
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink BigDFT.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink C++.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink CADPAC.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink CASINO.
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- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink CUDA.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink C_(programming_language).
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- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink Category:Physics_software.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink Charm++.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink Computational_chemical_methods_in_solid-state_physics.
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- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink Crystal_(software).
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink DACAPO.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink DMol3.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink Dalton_(program).
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink Density_functional_theory.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink Dirac_(software).
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- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink Extended_Hückel_method.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink FLAPW.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink FP-LMTO.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink Firefly_(computer_program).
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink Fortran.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink FreeON.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink GAMESS_(UK).
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- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink GNU_Lesser_General_Public_License.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink Gaussian_(software).
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink Gaussian_orbital.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink Graphics_processing_unit.
- List_of_quantum_chemistry_and_solid-state_physics_software wikiPageWikiLink HORTON_(software).