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simulation techniques. In addition, simulations and examination of the overall separation process may require computational studies across multiple length scales. key words Modeling; Nanotube; Molecular
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phases. This research will integrate a variety of modeling tools across multiple time and length scales to predict the microstructure evolution during the AM build process and post build thermal
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performance modeling capabilities that simultaneously consider multiple performance aspects, robust IAQ and other performance metrics, and measurement methods, sensors, and data to evaluate and verify building
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Description Molecular modeling (i.e., Monte Carlo and molecular dynamics methods) are becoming computationally-accessible for large-scale simulations of various thermophysical and mechanical properties
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to this information offers unique possibilities for the development and validation of the next generation of models of molecular interface formation on multiple scales, ranging from molecular dynamics simulations
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systems at multiple length and temporal scales for which we need a robust mathematical model. Modeling low frequency phonons requires an accurate knowledge of the temporal behavior of a many-body system
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quantum simulators. Our group pioneered the study of a number of phenomena in BEC, such as Bragg diffraction, accelerators, and Bragg interferometers; nonlinear atom optics (four-wave mixing of matter
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provide a rigorous framework for the validation of novel computational methods. Computational methods on multiple scales, ranging from continuum and empirical molecular mechanics models to first-principles
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atomistic simulations: the effect of potential and calculation methodology on the modeling of lattice and elastic constants," Modelling and Simulation in Materials Science and Engineering, 26, 055003. DOI