Unraveling Adsorbate-Induced Structural Evolution of Iron Carbide Nanoparticles by Peter S. Rice (11805875)

“…For this purpose, we have developed a general procedure that we use to model an experimentally relevant 270-atom Fe₁₈₂C₈₈ NP using the neural network-assisted stochastic surface walk global optimization algorithm (SSW-NN). Once generated, the Fe₁₈₂C₈₈ NP active sites and particle morphology are thoroughly characterized before the effects of syngas adsorbate interactions are explored by using DFT and molecular dynamics simulations. …”

Data_Sheet_1_A Data-Driven Framework for Identifying Intensive Care Unit Admissions Colonized With Multidrug-Resistant Organisms.docx by Çaǧlar Çaǧlayan (12253934)

“…</p>Materials and Methods<p>Leveraging data from electronic healthcare records and a unique MDRO universal screening program, we developed a data-driven modeling framework to predict MRSA, VRE, and CRE colonization upon intensive care unit (ICU) admission, and identified the associated socio-demographic and clinical factors using logistic regression (LR), random forest (RF), and XGBoost algorithms. We performed threshold optimization for converting predicted probabilities into binary predictions and identified the cut-off maximizing the sum of sensitivity and specificity.…”