Computational Workflow for Accelerated Molecular Design Using Quantum Chemical Simulations and Deep Learning Models Conference Paper December, 2022
Deep learning for electron and scanning probe microscopy: From materials design to atomic fabrication... Journal November, 2022
Extracting Inelastic Scattering Cross Sections for Finite and Aperiodic Materials from Electronic Dynamics Simulations Journal November, 2022
Image Gradient Decomposition for Parallel and Memory-Efficient Ptychographic Reconstruction... Conference Paper November, 2022
Physics Discovery in Nanoplasmonic Systems via Autonomous Experiments in Scanning Transmission Electron Microscopy Journal November, 2022
A Roadmap for Edge Computing Enabled Automated Multidimensional Transmission Electron Microscopy Journal November, 2022
Root-N Krylov-space correction vectors for spectral functions with the density matrix renormalization group Journal November, 2022
A High-Performance Design for Hierarchical Parallelism in the QMCPACK Monte Carlo code... Conference Paper November, 2022
