-
Allocation on OLCF Summit, NERSC Perlmutter, ALCF Sunspot, and OLCF Frontier for the NWChemEx project (2017-2023) through the Exascale Computing Project ECP (17-SC-20-SC).
-
NERSC Perlmutter allocations through the DOE Basic Energy Sciences (BES) Chemical Sciences, Geosciences, & Biosciences (CSGB) program:
- BES-CSGB-ERCAP0024325 (2020 - current): Scalable Predictive Methods for Excitations and Correlated Phenomena (SPEC).
- BES-CSGB-ERCAP0023578 (2023 - current): Many-Body Methods, Spectroscopies, and Dynamics for Molecular Polaritonic Systems (MAPOL).
- OLCF Summit allocations awarded for the SPEC project.
- INCITE 2021 for OLCF Summit: Deciphering the Mysteries of Hydrogen Bonding in Water.
- OLCF Director's Discretionary (DD) project for OLCF Summit (2019). CHM159: Excited States of DNA/RNA oligomers.
- Early Science project for OLCF Summit (2019). CHM146: Highly Accurate Electronic Structure Methods for Ground and Excited States at Scale: Addressing Problems in Energy Capture, Transfer, and Storage.