1) Implement multiple regression techniques to predict ionic conductivity in materials from structure alone. 2) Identify promising new candidate solid lithium conductors by screening over 1,000 lithium containing structures. 3) We find a number of promising candidate structures which have not yet been studied in the literature.
We present a data-driven model for predicting the lithium ionic conductivity of a solid crystal from atomistic structure. We employ ordinary least squares (OLS) and locally-weighted least squares (LWLS) regression, coupled with manual dimension reduction and leave-one-out cross-validation (LOOCV), to identify linear hypotheses that can predict ionic… (More)
Hardy and Higgins first proposed the amyloid cascade hypothesis in 1992, stating that the decrease in neuronal function observed in Alzheimer's Disease (AD) is due to a process initiated by the oligomerization of amyloid beta peptide. One hypothesis states that toxicity arises from the aggregation of amyloid beta into a pore structure, which can then… (More)
We present a coarse-grained two dimensional mechanical model for the microtubule-tau bundles in neuronal axons in which we remove taus, as can happen in various neurodegenerative conditions such as Alzheimers disease, tauopathies, and chronic traumatic encephalopathy. Our simplified model includes (i) taus modeled as entropic springs between microtubules,… (More)