Q-Chem
Q-Chem is a general-purpose electronic structure package featuring a variety of established and new methods implemented using innovative algorithms that enable fast calculations of large systems on various computer architectures, from laptops and regular lab workstations to midsize clusters and HPCC, using density functional and wave-function based approaches. It offers an integrated graphical interface and input generator; a large selection of functionals and correlation methods, including methods for electronically excited states and open-shell systems; solvation models; and wave-function analysis tools. In addition to serving the computational chemistry community, Q-Chem also provides a versatile code development platform.
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Anna KrylovCOSMO solvation modelGAMESS (UK)GabeditHeat transfer physicsJohn PopleList of computational chemistsList of quantum chemistry and solid-state physics softwareMOLPROMartin Head-GordonMinnesota functionalsMolecular mechanicsMolecular modeling on GPUsOctaDistQatar PetroleumQuantemolSpartan (chemistry software)Time-dependent density functional theoryWorld Community Grid
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Q-Chem
Q-Chem is a general-purpose electronic structure package featuring a variety of established and new methods implemented using innovative algorithms that enable fast calculations of large systems on various computer architectures, from laptops and regular lab workstations to midsize clusters and HPCC, using density functional and wave-function based approaches. It offers an integrated graphical interface and input generator; a large selection of functionals and correlation methods, including methods for electronically excited states and open-shell systems; solvation models; and wave-function analysis tools. In addition to serving the computational chemistry community, Q-Chem also provides a versatile code development platform.
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Q-Chem is a general-purpose el ...... ile code development platform.
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latest release date
2020-12-10
latest release version
programming language
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1,020,700,683
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Q-Chem Inc., Q-Chem developer community
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genre
latest release date
2020-12-10
latest release version
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Commercial, academic
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Linux, FreeBSD, Unix and like operating systems, Microsoft Windows, Mac OS X
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Q-Chem is a general-purpose el ...... ile code development platform.
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Q-Chem
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