| dbo:abstract |
NWChem is an ab initio computational chemistry software package which includes quantum chemical and molecular dynamics functionality.It was designed to run on high-performance parallel supercomputers as well as conventional workstation clusters. It aims to be scalable both in its ability to treat large problems efficiently, and in its usage of available parallel computing resources. NWChem has been developed by the Molecular Sciences Software group of the Theory, Modeling & Simulation program of the Environmental Molecular Sciences Laboratory (EMSL) at the Pacific Northwest National Laboratory (PNNL). The early implementation was funded by the EMSL Construction Project. NWChem is currently being redesigned and reimplemented for exascale computing platforms (NWChemEx ). (en) NWChem adalah perangkat lunak kimia komputasi untuk perhitungan ab initio baik dengan metode mekanika kuantum atau .Perangkat lunak ini dapat dijalankan pada mesin komputer konvensional atau kinerja tinggi dan dapat diinstalasi secara paralel. Perangkat lunak ini dikembangkan oleh (EMSL), salah satu laboratoium di (PNNL). (in) |
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dbr:Pacific_Northwest_National_Laboratory |
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dbr:Computational_Chemistry |
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7.0.2 |
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Image:MS3 NWChem.logo3.png (en) |
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NWChem (en) |
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dbr:Package |
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| rdfs:comment |
NWChem adalah perangkat lunak kimia komputasi untuk perhitungan ab initio baik dengan metode mekanika kuantum atau .Perangkat lunak ini dapat dijalankan pada mesin komputer konvensional atau kinerja tinggi dan dapat diinstalasi secara paralel. Perangkat lunak ini dikembangkan oleh (EMSL), salah satu laboratoium di (PNNL). (in) NWChem is an ab initio computational chemistry software package which includes quantum chemical and molecular dynamics functionality.It was designed to run on high-performance parallel supercomputers as well as conventional workstation clusters. It aims to be scalable both in its ability to treat large problems efficiently, and in its usage of available parallel computing resources. NWChem has been developed by the Molecular Sciences Software group of the Theory, Modeling & Simulation program of the Environmental Molecular Sciences Laboratory (EMSL) at the Pacific Northwest National Laboratory (PNNL). The early implementation was funded by the EMSL Construction Project. (en) |
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NWChem (in) NWChem (en) |
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