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RAP opportunity at National Institute of Standards and Technology NIST Mathematical Modeling and Simulation Location Information Technology Laboratory, Applied and Computational Mathematics
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further enriches the available data from which material behavior can be extracted. Separate work is being done to develop robust algorithms to quantitatively compare the physical and simulated experimental
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of the uncertainties encountered in the physical experiments. These computational methods have been applied to nanorheology in photopolymerization 3D printing [1], human breath research for forensic and clinical data
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/Alcohol Mixtures: Using Molecular Simulation to Probe Energetics, Structure and Dynamics. Kevin R. Hinkle and Frederick R. Phelan Jr., Journal of Physical Chemistry C, 121 (41), pp. 22926–22938, (2017
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, physical chemistry, and mesoscale physics. We employ a set of rigorous top-down methods, ranging from analytical theory calculations to large-scale atomistic and density functional theory simulations. A
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RAP opportunity at National Institute of Standards and Technology NIST Atom-based Silicon Quantum Electronics for Quantum Computing and Analog Quantum Simulation Location Physical Measurement
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on Antennas and Propagation, Volume 61(3): 1285, 2013 Gimbutas Z, Greengard L: Journal of Computational Physics 232: 22, 2013. doi:http://dx.doi.0rg10.1016/jjcp.2012.01.041, arXiv:1104.5293v1 key words
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behavior (e.g., ignition, burning rate, fire growth). Such predictions require accurate and efficient simulation of the tightly coupled, time-dependent condensed- and gas-phase processes that control
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Physics Letters 580: 120, 2013 Nanoporous materials; CO2 capture; Gas adsorption; Metal-organic frameworks; DFT; Theory and modeling; Computational thermodynamics; Citizenship: Open to U.S. citizens
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part of a research recommendation engine to guide researchers in the lab. The algorithms integrate machine learning, solid state physics, on-the-fly physical experiments, on-the-fly simulations