31 citations · 53 across the 6 of their papers we have counts for
6 papers
Parallel implementation of the Density Matrix Renormalization Group method achieving a quarter petaFLOPS performance on a single DGX-H100 GPU node
Andor Menczer, Maarten van Damme, Alan Rask +5
We report cutting edge performance results for a hybrid CPU-multi GPU implementation of the spin adapted ab initio Density Matrix Renormalization Group (DMRG) method on current sta…
Massively parallel quantum chemistry: PFAS on over 1 million cloud vCPUs
Alan E. Rask, Lee Huntington, SungYeon Kim +16
Accurate solutions to the electronic Schrödinger equation can provide valuable insight for electron interactions within molecular systems, accelerating the molecular design and dis…
Tangelo: An Open-source Python Package for End-to-end Chemistry Workflows on Quantum Computers
Valentin Senicourt, James Brown, Alexandre Fleury +10
Tangelo [link: https://github.com/goodchemistryco/Tangelo] is an open-source Python software package for the development of end-to-end chemistry workflows on quantum computers, rel…
Optimizing Electronic Structure Simulations on a Trapped-ion Quantum Computer using Problem Decomposition
Yukio Kawashima, Erika Lloyd, Marc P. Coons +12
Quantum computers have the potential to advance material design and drug discovery by performing costly electronic structure calculations. A critical aspect of this application req…
Scaling Up Electronic Structure Calculations on Quantum Computers: The Frozen Natural Orbital Based Method of Increments
Prakash Verma, Lee Huntington, Marc Coons +3
The method of increments and frozen natural orbital (MI-FNO) framework is introduced to help expedite the application of noisy, intermediate-scale quantum~(NISQ) devices for quantu…
VanQver: The Variational and Adiabatically Navigated Quantum Eigensolver
Shunji Matsuura, Takeshi Yamazaki, Valentin Senicourt +2
The accelerated progress in manufacturing noisy intermediate-scale quantum (NISQ) computing hardware has opened the possibility of exploring its application in transforming approac…