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
Predicting Ion Transport Kinetics at Complex Interfaces for Energy Storage Research Project Materials Science
DNS and LES of Internal Combustion Engines to Understand Origins of CCV Research Project Energy Technologies
