Consistent Integration of Experimental and Ab Initio Data into Effective Physical Models
Author:
Affiliation:
1. Joint Institute for Computational Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6173, United States
2. Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6496, United States
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b00114
Reference54 articles.
1. Interatomic Potentials from First-Principles Calculations: The Force-Matching Method
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4. Systematic coarse-graining of potential energy landscapes and dynamics in liquids
5. The Theory of Ultra-Coarse-Graining. 1. General Principles
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