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and other complex fluids using molecular simulations. In order to make these simulations more computationally feasible, development of coarse-grained models and new Monte Carlo or molecular dynamics
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on github . [1] L.M. Hale, Z.T. Trautt, and C.A. Becker (2018), "Evaluating variability with atomistic simulations: the effect of potential and calculation methodology on the modeling of lattice and elastic
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nm optical microscopy." Optics Express 21(22): 26219-26226, 2013. http://dx.doi.org/10.1364/Oe.21.026219 Optics; Semiconductors; Ultraviolet; Electromagnetic simulations; Lasers; Nanoscale
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the rate of fire growth. State-of-the-art fire models designed for these simulations also require input parameters (material properties) that describe: the decomposition reaction mechanism of combustible
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approach must be combined with mechanistic models that describe the specific microstructure elements. A variety of inputs from both experimental work and simulations (i.e., first principle, atomistic, and/or
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NIST only participates in the February and August reviews. There is a growing need for high-performance materials for various technological applications. To address this need, the NIST-JARVIS (https
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properties with three-body tight-binding model for the periodic table" https://journals.aps.org/prmaterials/abstract/10.1103/PhysRevMaterials.7.044603 2) "Magnon-phonon hybridization in 2D antiferromagnet
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Enhancing the capabilities and applicability of ion-association thermodynamic models for aqueous electrolytes. NIST only participates in the February and August reviews. The widespread use