22 citations · 28 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2024★ 6 cited
Fundamental Microscopic Properties as Predictors of Large-Scale Quantities of Interest: Validation through Grain Boundary Energy Trends
Benjamin A. Jasperson, Ilia Nikiforov, Amit Samanta +3
Correlations between fundamental microscopic properties computable from first principles, which we term canonical properties, and complex large-scale quantities of interest (QoIs)…
cond-mat.mtrl-sci2022★ 22 cited
Automated determination of grain boundary energy and potential-dependence using the OpenKIM framework
Brendon Waters, Daniel S. Karls, Ilia Nikiforov +3
We present a systematic methodology, built within the Open Knowledgebase of Interatomic Models (OpenKIM) framework (https://openkim.org), for quantifying properties of grain bounda…