Parallelized Natural Extension Reference Frame: Parallelized Conversion from Internal to Cartesian Coordinates
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DOI: 10.1002/jcc.25772
Abstract: The conversion of polymer parameterization from internal coordinates (bond lengths, angles, and torsions) to Cartesian coordinates is a fundamental task in molecular modeling, often performed using the natural extension reference frame (NeRF) algorithm. NeRF can… read more here.
Keywords: natural extension; extension reference; conversion; cartesian coordinates ... See more keywords
Natural extension of fast-slow decomposition for dynamical systems.
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DOI: 10.1103/physreve.97.012215
Abstract: Modeling and parameter estimation to capture the dynamics of physical systems are often challenging because many parameters can range over orders of magnitude and are difficult to measure experimentally. Moreover, selecting a suitable model complexity… read more here.
Keywords: fast slow; natural extension; decomposition dynamical; slow decomposition ... See more keywords