Browsing Miscellaneous Community Practices by Author "Patrone, Paul N."
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Best Practices for Quantification of Uncertainty and Sampling Quality in Molecular Simulations [Article v1.0].
Grossfield, Alan; Patrone, Paul N.; Roe, Daniel R.; Schultz, Andrew J.; Siderius, Daniel W.; Zuckerman, Daniel M. (2019)The quantitative assessment of uncertainty and sampling quality is essential in molecular simulation. Many systems of interest are highly complex, often at the edge of current computational capabilities. Modelers must ...