3 papers
quant-ph2026
Distribution Complexity of Electronic Structure Simulations on Quantum Supercomputers
Jason Necaise, Namit Anand, Gaurav Gyawali +3
Efficient simulation of strongly-interacting fermionic systems on quantum processing units (QPUs) is a challenging task due to nonlocal mode entanglement generation. However, it is…
cs.DC2025
A Full Stack Framework for High Performance Quantum-Classical Computing
Xin Zhan, K. Grace Johnson, Aniello Esposito +5
To address the growing needs for scalable High Performance Computing (HPC) and Quantum Computing (QC) integration, we present our HPC-QC full stack framework and its hybrid workloa…
physics.chem-ph2024
Extending GPU-Accelerated Gaussian Integrals in the TeraChem Software Package to f Type Orbitals: Implementation and Applications
Yuanheng Wang, Diptarka Hait, K. Grace Johnson +4
The increasing availability of GPUs for scientific computing has prompted interest in accelerating quantum chemical calculations through their use. The complexity of integral kerne…