David L. Poole

Enabling Large-Scale Correlated Electronic Structure Calculations: Scaling the RI-MP2 Method on Summit

Mark S. Gordon, Alistair P. Rendell, Melisa Alkan, 2021, SC21: International Conference for High Performance Computing, Networking, Storage and Analysis.

Recent developments in the general atomic and molecular electronic structure system.

Michael W. Schmidt, Alistair P. Rendell, Bryce M. Westheimer, 2020, The Journal of chemical physics.

Scaling the Hartree-Fock Matrix Build on Summit

Alistair P. Rendell, Giuseppe M. J. Barca, David L. Poole, 2020, SC20: International Conference for High Performance Computing, Networking, Storage and Analysis.

The stability and dissociation of ethylenedione (OCCO).

David L. Poole, M. Gordon, J. Mato, 2020, The journal of physical chemistry. A.

Novel Computer Architectures and Quantum Chemistry.

Mark S. Gordon, Alistair P. Rendell, Bryce M. Westheimer, 2020, The journal of physical chemistry. A.

A Task-Based Approach to Parallel Restricted Hartree-Fock Calculations.

David L. Poole, Jorge L. Galvez Vallejo, Mark S. Gordon, 2022, Journal of chemical theory and computation.

Faster Self-Consistent Field (SCF) Calculations on GPU Clusters.

Alistair P. Rendell, Jorge L Galvez-Vallejo, Giuseppe M. J. Barca, 2021, Journal of chemical theory and computation.

High-Performance, Graphics Processing Unit-Accelerated Fock Build Algorithm.

Alistair P. Rendell, Mark S Gordon, Giuseppe M J Barca, 2020, Journal of chemical theory and computation.

The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel Architectures.

Alistair P. Rendell, Bryce M. Westheimer, Jorge L Galvez Vallejo, 2023, Journal of chemical theory and computation.