activity
20122026
most citedHeat-bath Configuration Interaction: An efficient selected CI algorithm inspired by heat-bath sampling

506 citations · 2.6k across the 68 of their papers we have counts for

collaborators

70 papers

quant-ph2026

Decoder Model Compatibility Provides Information beyond the Logical Gap under Drifting and Correlated Quantum Noise

Aaron C. Hoyt, Chunshu Wu, Shuwen Kan +8

Quantum error-correcting decoders provide both corrections and confidence estimates for the logical-error risk of individual measurement records. Such confidence can guide postsele…

quant-ph2026

Performance Model for Hybrid Quantum-Classical Workflows

Pooja Rao, Dimitar Trenev, Jerome Gonthier +13

Hybrid quantum-classical workflows are expected to underpin practical quantum computing applications, yet the quantum and HPC communities lack a shared framework for reasoning abou…

quant-ph2026

Overlapped groupings for quantum energy estimation: Maximal variance reduction and deterministic algorithms for reducing variance

Jeremiah Rowland, Rahul Sarkar, Nicolas PD Sawaya +2

Grouping-based measurement strategies are widely used to reduce measurement complexity in near-term quantum algorithms. While these schemes have typically produced disjoint groups,…

quant-ph2026

The cost of quantum algorithms for biochemistry: A case study in metaphosphate hydrolysis

Ryan LaRose, Antonios M. Alvertis, Alan Bidart +10

We evaluate the quantum resource requirements for ATP/metaphosphate hydrolysis, one of the most important reactions in all of biology with implications for metabolism, cellular sig…

quant-ph2025

Hybrid continuous-discrete-variable quantum computing: a guide to utility

A. F. Kemper, Antonios Alvertis, Muhammad Asaduzzaman +24

Quantum computing has traditionally centered around the discrete variable paradigm. A new direction is the inclusion of continuous variable modes and the consideration of a hybrid…

quant-ph2025

Efficient Floating-Point Arithmetic on Fault-Tolerant Quantum Computers

José E. Cruz Serrallés, Oluwadara Ogunkoya, Do{g}a Murat Kürkçüo{g}lu +5

We propose a novel floating-point encoding scheme that builds on prior work involving fixed-point encodings. We encode floating-point numbers using Two's Complement fixed-point man…

quant-ph2025

Efficient Classical Processing of Constant-Depth Time Evolution Circuits in Control Hardware

Akhil Francis, Abhi D. Rajagopala, Norm M. Tubman +2

Improving quantum algorithms run-time performance involves several strategies such as reducing the quantum gate counts, decreasing the number of measurements, advancement in QPU te…

cond-mat.mtrl-sci2025

Theory of ab initio downfolding with arbitrary range electron-phonon coupling

Norm M. Tubman, Christopher J. N. Coveney, Chih-En Hsu +6

Ab initio downfolding describes the electronic structure of materials within a low-energy subspace, often around the Fermi level. Typically starting from mean-field calculations, t…

cond-mat.supr-con2025

Phonon-mediated electron attraction in SrTiO via the generalized Fröhlich and deformation potential mechanisms

Christopher J. N. Coveney, Norm M. Tubman, Chih-En Hsu +6

Superconductivity in doped SrTiO was discovered in 1964, the first superconducting transition observed in a doped semiconductor. However, the mechanism of electron pairing in S…

quant-ph2024★ 8 cited

Classical Pre-optimization Approach for ADAPT-VQE: Maximizing the Potential of High-Performance Computing Resources to Improve Quantum Simulation of Chemical Applications

J. Wayne Mullinax, Panagiotis G. Anastasiou, Jeffrey Larson +2

The ADAPT-VQE algorithm is a promising method for generating a compact ansatz based on derivatives of the underlying cost function, and it yields accurate predictions of electronic…

quant-ph2024★ 40 cited

Artificial Intelligence for Quantum Computing

Yuri Alexeev, Marwa H. Farag, Taylor L. Patti +25

Artificial intelligence (AI) advancements over the past few years have had an unprecedented and revolutionary impact across everyday application areas. Its significance also extend…

quant-ph2024★ 5 cited

Compressing Hamiltonians with ab initio downfolding for simulating strongly-correlated materials on quantum computers

Antonios M. Alvertis, Abid Khan, Norm M. Tubman

The accurate first-principles description of strongly-correlated materials is an important and challenging problem in condensed matter physics. Ab initio downfolding has emerged as…

quant-ph2024★ 1 cited

Surrogate Constructed Scalable Circuits ADAPT-VQE in the Schwinger model

Erik Gustafson, Kyle Sherbert, Adrien Florio +8

Inspired by recent advancements of simulating periodic systems on quantum computers, we develop a new approach, (SC)-ADAPT-VQE, to further advance the simulation of these syste…

quant-ph2024★ 1 cited

Non-Clifford diagonalization for measurement shot reduction in quantum expectation value estimation

Nicolas P. D. Sawaya, Daan Camps, Ben DalFavero +3

Estimating expectation values on near-term quantum computers often requires a prohibitively large number of measurements. One widely-used strategy to mitigate this problem has been…

quant-ph2024★ 3 cited

Classical Benchmarks for Variational Quantum Eigensolver Simulations of the Hubbard Model

Antonios M. Alvertis, Abid Khan, Thomas Iadecola +2

Simulating the Hubbard model is of great interest to a wide range of applications within condensed matter physics, however its solution on classical computers remains challenging i…

quant-ph2024★ 1 cited

Towards Efficient Quantum Computation of Molecular Ground State Energies using Bayesian Optimization with Priors over Surface Topology

Farshud Sorourifar, Mohamed Taha Rouabah, Nacer Eddine Belaloui +6

Variational Quantum Eigensolvers (VQEs) represent a promising approach to computing molecular ground states and energies on modern quantum computers. These approaches use a classic…

quant-ph2024★ 2 cited

Bayesian Optimization Priors for Efficient Variational Quantum Algorithms

Farshud Sorourifar, Diana Chamaki, Norm M. Tubman +2

Quantum computers currently rely on a hybrid quantum-classical approach known as Variational Quantum Algorithms (VQAs) to solve problems. Still, there are several challenges with V…

physics.chem-ph2024

Quantum Hardware-Enabled Molecular Dynamics via Transfer Learning

Abid Khan, Prateek Vaish, Yaoqi Pang +8

The ability to perform ab initio molecular dynamics simulations using potential energies calculated on quantum computers would allow virtually exact dynamics for chemical and bioch…

quant-ph2024★ 3 cited

Surrogate optimization of variational quantum circuits

Erik J. Gustafson, Juha Tiihonen, Diana Chamaki +8

Variational quantum eigensolvers are touted as a near-term algorithm capable of impacting many applications. However, the potential has not yet been realized, with few claims of qu…

quant-ph2024

A circuit-generated quantum subspace algorithm for the variational quantum eigensolver

Mark R. Hirsbrunner, J. Wayne Mullinax, Yizhi Shen +4

Recent research has shown that wavefunction evolution in real- and imaginary-time can generate quantum subspaces with significant utility for obtaining accurate ground state energi…

quant-ph2024

Simple Diagonal State Designs with Reconfigurable Real-Time Circuits

Yizhi Shen, Katherine Klymko, Eran Rabani +4

Unitary designs are widely used in quantum computation, but in many practical settings it suffices to construct a diagonal state design generated with unitary gates diagonal in the…

quant-ph2023★ 10 cited

Pre-optimizing variational quantum eigensolvers with tensor networks

Abid Khan, Bryan K. Clark, Norm M. Tubman

The variational quantum eigensolver (VQE) is a promising algorithm for demonstrating quantum advantage in the noisy intermediate-scale quantum (NISQ) era. However, optimizing VQE f…

quant-ph2023★ 19 cited

HamLib: A library of Hamiltonians for benchmarking quantum algorithms and hardware

Nicolas PD Sawaya, Daniel Marti-Dafcik, Yang Ho +13

In order to characterize and benchmark computational hardware, software, and algorithms, it is essential to have many problem instances on-hand. This is no less true for quantum co…

quant-ph2023★ 3 cited

Estimating Eigenenergies from Quantum Dynamics: A Unified Noise-Resilient Measurement-Driven Approach

Yizhi Shen, Daan Camps, Aaron Szasz +5

Ground state energy estimation in physical, chemical, and materials sciences is one of the most promising applications of quantum computing. In this work, we introduce a new hybrid…