Data_Sheet_1_A Global Optimizer for Nanoclusters.PDF by Maya Khatun (7437011)

“…<p>We have developed an algorithm to automatically build the global minimum and other low-energy minima of nanoclusters. …”

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_Crystal Structure Prediction of Binary Alloys via Deep Potential.PDF by Haidi Wang (9694004)

Generalized Tensor Decomposition With Features on Multiple Modes by Jiaxin Hu (1327875)

“…Our proposal handles a broad range of data types, including continuous, count, and binary observations. …”