High performance computational chemistry: An overview of NWChem a distributed parallel application
By R. Kendall, E. Aprá, D. Bernholdt, E. Bylaska, Michel Dupuis, G. Fann, R. Harrison, Jialin Ju, J. Nichols, J. Nieplocha and 3 more. 2000
593 citations recorded by the source corpus.
Subfields: Computer Networks and Communications, Information Systems, Information Systems and Management
View Paper: https://www.semanticscholar.org/paper/19df5d05b6da98f99619ee4584c5177bd02c8a2a
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In Computer Networks and Communications
Citations in the corpus
- Carbon monoxide MgO from dispersed solids to single crystals: a review and new advances (2004, methodology): “[251] reports a periodic density functional LDA and GGA study performed with a Gaussian basis sets, using the NWChem code [252].”
- The atomic simulation environment-a Python library for working with atoms. (2017, methodology): “The molecule is equipped with a calculator, NWChem, which is the ASE interface to the NWChem [15, 16] code.”
- Advances, Applications and Performance of the Global Arrays Shared Memory Programming Toolkit (2006, methodology): “1 Mirrored Arrays in Density Functional Theory The mirrored arrays functionality has been implemented in the Gaussian function-based DFT module of NWChem [65, 85].”
- QM/MM Methods for Biological Systems (2006, background): “• MM packages with QM: amber [218, 702], boss (MC simulations, semiempirical QM only) [219, 703], charmm [180, 704] • QM packages with MM: adf [220, 705], gamess-uk [221, 706], Gaussian [707], NWChem [222, 708], QSite/Jaguar [709]; Car–Parrinello MD codes with QM/MM capabilities: cpmd [101, 119, 131”
- Biological and synthetic membranes: What can be learned from a coarse-grained description? (2006, methodology): “Among them are NAMD Molecular Dynamics Software (NAMD) [ 56], the Groningen Machine for Chemical Simulation (GROMACS) [ 57, 58], Groningen Molecular Simulation (GROMOS) [ 59, 60], MDynaMix [ 61], Assisted Model Building with Energy Refinement (AMBER) [ 62], NWChem [ 63, 64], Integrated Model Program”