Accurate molecular polarizabilities with coupled cluster theory and machine learning Publications PNAS
Multimodal interference-based imaging of nanoscale structure and macromolecular motion uncovers UV induced cellular paroxysm Publications Springer Nature
The Critical Need for High Performance Computing Network Simulation Capabilities: The PETSc DMNetwork Approach Events 01/21/2020
Comparative dataset of experimental and computational attributes of UV/vis absorption spectra Publications Springer Nature
Quantum mechanical static dipole polarizabilities in the QM7b and AlphaML showcase databases Publications Springer Nature
Anisotropic structural dynamics of monolayer crystals revealed by femtosecond surface X-ray scattering Publications Springer Nature
ALCF Getting Started on Theta Events 01/16/2020 Our introductory "Getting Started" videos are designed to help users get their projects up and running on ALCF computing resources.
Light-Weight Performance Analysis for Next-Generation HPC Systems Events 01/14/2020 MCS Visitor Presentation
