Dye-Anchoring Modes at the Dye···TiO2 Interface of N3- and N749-Sensitized Solar Cells Revealed by Glancing-Angle Pair Distribution Function Analysis Publications The Journal of Physical Chemistry C
Magnetic and superconducting phase diagrams and transition temperatures predicted using text mining and machine learning Publications NPJ Computational Materials
Iodine and Sulfur Vacancy Cooperation Promotes Ultrafast Charge Extraction at MAPbI3/MoS2 Interface Publications ACS Energy Letters
Optimization and validation of a deep learning CuZr atomistic potential: Robust applications for crystalline and amorphous phases with near-DFT accuracy Publications The Journal of Chemical Physics
Machine-learning structural and electronic properties of metal halide perovskites using a hierarchical convolutional neural network Publications NPJ Computational Materials
High Activity toward the Hydrogen Evolution Reaction on the Edges of MoS2-Supported Platinum Nanoclusters Using Cluster Expansion and Electrochemical Modeling Publications Chemistry of Materials
Low-frequency lattice phonons in halide perovskites explain high defect tolerance toward electron-hole recombination Publications Science Advances
Past, Current, and Future Topics with PETSc: Pipelined, Flexible Krylov Methods; Staggered Grid Abstractions; and Ideas for Community Engagement Events 11/25/2020
Extreme-Scale Simulations for Advanced Seismic Ground Motion and Hazard Modeling Research Project Earth Science
COMPBIO: COMbining deep-learning with Physics-Based affinIty estimatiOn Research Project Biological Sciences
