31 citations · 152 across the 11 of their papers we have counts for
12 papers
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…
Iterative Qubit Coupled Cluster using only Clifford circuits
James Brown, Marc P. Coons, Erika Lloyd +4
The performance of quantum algorithms for ground-state energy estimation is directly impacted by the quality of the initial state, where quality is traditionally defined in terms o…
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…
Variationally Scheduled Quantum Simulation
Shunji Matsuura, Samantha Buck, Valentin Senicourt +1
Eigenstate preparation is ubiquitous in quantum computing, and a standard approach for generating the lowest-energy states of a given system is by employing adiabatic state prepara…
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…
Towards the Practical Application of Near-Term Quantum Computers in Quantum Chemistry Simulations: A Problem Decomposition Approach
Takeshi Yamazaki, Shunji Matsuura, Ali Narimani +2
With the aim of establishing a framework to efficiently perform the practical application of quantum chemistry simulation on near-term quantum devices, we envision a hybrid quantum…
Combinatorial Optimization by Decomposition on Hybrid CPU--non-CPU Solver Architectures
Ali Narimani, Seyed Saeed Changiz Rezaei, Arman Zaribafiyan
The advent of new special-purpose hardware such as FPGA or ASIC-based annealers and quantum processors has shown potential in solving certain families of complex combinatorial opti…
Combinatorial Optimization on Gate Model Quantum Computers: A Survey
Ehsan Zahedinejad, Arman Zaribafiyan
The advent of quantum computing processors with possibility to scale beyond experimental capacities magnifies the importance of studying their applications. Combinatorial optimizat…
Systematic and Deterministic Graph-Minor Embedding for Cartesian Products of Graphs
Arman Zaribafiyan, Dominic J. J. Marchand, Seyed Saeed Changiz Rezaei
The limited connectivity of current and next-generation quantum annealers motivates the need for efficient graph-minor embedding methods. These methods allow non-native problems to…
A Novel Graph-based Approach for Determining Molecular Similarity
Maritza Hernandez, Arman Zaribafiyan, Maliheh Aramon +1
In this paper, we tackle the problem of measuring similarity among graphs that represent real objects with noisy data. To account for noise, we relax the definition of similarity u…