Unraveling Adsorbate-Induced Structural Evolution of Iron Carbide Nanoparticles حسب 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_Alzheimer’s Disease Diagnosis and Biomarker Analysis Using Resting-State Functional MRI Functional Brain Network With Multi-Measures Features and Hippocampal Subfield... حسب Uttam Khatri (12689072)