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Force-sampling methods for density distributions as instances of mapped averaging |
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| Authors: | Apoorva Purohit Andrew J Schultz |
| Institution: | 1. Department of Chemical and Biological Engineering, The State University of New York, Buffalo, NY, USA;2. Department of Chemical and Biological Engineering, The State University of New York, Buffalo, NY, USA![ORCID Icon]({"type":"image","src":"/templates/jsp/images/orcid.png"} "ORCID Icon") https://orcid.org/0000-0002-1180-0156 |
| Abstract: | ABSTRACTWe show that two recently proposed methods for computing singlet and pair density distributions without histograms are particular implementations of the general mapped-averaging framework for deriving alternative ensemble averages for physical properties. |
| Keywords: | Statistical mechanics density distributions mapped averaging |