A survey of data-driven methods for materials modeling at nanoscale, mesoscale, and micro-to-continuum scales that identifies established capabilities, data quality issues, and obstacles to cross-scale integration.
Charge equilibration for molecular dynamics simulations.The Journal of Physical Chemistry, 95(8):3358–3363, 1991
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Materials Informatics Across the Length Scales
A survey of data-driven methods for materials modeling at nanoscale, mesoscale, and micro-to-continuum scales that identifies established capabilities, data quality issues, and obstacles to cross-scale integration.