activity
20202026
most citedGraphical Gaussian Process Regression Model for Aqueous Solvation Free Energy Prediction of Organic Molecules in Redox Flow Battery

23 citations · 86 across the 19 of their papers we have counts for

collaborators

19 papers

quant-ph2026

Encoding Choices and Fault-Tolerant Resource Estimates for Digital Quantum Hamiltonian Descent

Chenxu Liu, Meng Wang, Mingze Li +3

Quantum Hamiltonian descent (QHD) formulates continuous optimization as time-dependent quantum dynamics, where a kinetic term drives exploration and a potential term encodes the ob…

quant-ph2026

Quantum Information Harvesting with the Parallel Quantum Flow Algorithm

Nicholas P. Bauman, Ajay Panyala, Chenxu Liu +3

The Quantum Flow (QFlow) algorithm provides a resource-efficient framework for describing correlated many-body systems on hybrid quantum-classical architectures. By enabling parall…

quant-ph2026

Benchmarking and Resource Analysis for Augmented-Lagrangian Quantum Hamiltonian Descent

Zeguan Wu, Mingze Li, Muqing Zheng +6

Quantum Hamiltonian Descent (QHD) is a continuous optimization algorithm based on simulating a time-dependent quantum Hamiltonian whose potential energy encodes the objective funct…

quant-ph2026

Gate-Level Quantum Simulation of Nonunitary Linear Dynamics with Hybrid Oscillator-Qubit Architecture

Elin Ranjan Das, Muqing Zheng, Rishab Dutta +3

We translate the one-mode unitary-dilation framework for nonunitary linear dynamics into a gate-level hybrid oscillator--qubit architecture. An ancillary oscillator encodes the ker…

quant-ph2026

QASMTrans: An End-to-End QASM Compilation Framework with Pulse Generation for Near-Term Quantum Devices

Aaron Hoyt, Meng Wang, Fei Hua +8

QASMTrans is a lightweight, high-performance, C++-based quantum compiler that bridges abstract quantum algorithms to device-level control and is designed for just-in-time (JIT) dep…

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

Coupled Cluster Downfolding Theory in Simulations of Chemical Systems on Quantum Hardware

Nicholas P. Bauman, Muqing Zheng, Chenxu Liu +5

The practical application of quantum technologies to chemical problems faces significant challenges, particularly in the treatment of realistic basis sets and the accurate inclusio…

quant-ph2025★ 15 cited

A Perspective on Quantum Computing Applications in Quantum Chemistry using 25--100 Logical Qubits

Yuri Alexeev, Victor S. Batista, Nicholas Bauman +27

The intersection of quantum computing and quantum chemistry represents a promising frontier for achieving quantum utility in domains of both scientific and societal relevance. Owin…

quant-ph2024★ 10 cited

Quantum DeepONet: Neural operators accelerated by quantum computing

Pengpeng Xiao, Muqing Zheng, Anran Jiao +2

In the realm of computational science and engineering, constructing models that reflect real-world phenomena requires solving partial differential equations (PDEs) with different c…

quant-ph2024★ 1 cited

Design of an entanglement purification protocol selection module

Yue Shi, Chenxu Liu, Samuel Stein +3

Entanglement purification protocols, designed to improve the fidelity of Bell states over quantum networks for inter-node communications, have attracted significant attention over…

quant-ph2024

AQM: A Refresh of the Abstract Qubit Model for Quantum Computing Co-design

Chenxu Liu, Samuel A. Stein, Muqing Zheng +2

Qubits are the fundamental building blocks of quantum information science and applications, whose concept is widely utilized in both quantum physics and quantum computation. While…

quant-ph2024★ 6 cited

An Early Investigation of the HHL Quantum Linear Solver for Scientific Applications

Muqing Zheng, Chenxu Liu, Samuel Stein +4

In this paper, we explore using the Harrow-Hassidim-Lloyd (HHL) algorithm to address scientific and engineering problems through quantum computing, utilizing the NWQSim simulation…

quant-ph2024

TANQ-Sim: Tensorcore Accelerated Noisy Quantum System Simulation via QIR on Perlmutter HPC

Ang Li, Chenxu Liu, Samuel Stein +7

Although there have been remarkable advances in quantum computing (QC), it remains crucial to simulate quantum programs using classical large-scale parallel computing systems to va…

quant-ph2024★ 3 cited

Early Exploration of a Flexible Framework for Efficient Quantum Linear Solvers in Power Systems

Muqing Zheng, Yousu Chen, Xiu Yang +1

The rapid integration of renewable energy resources presents formidable challenges in managing power grids. While advanced computing and machine learning techniques offer some solu…

quant-ph2023★ 7 cited

Unleashed from Constrained Optimization: Quantum Computing for Quantum Chemistry Employing Generator Coordinate Inspired Method

Muqing Zheng, Bo Peng, Ang Li +2

Hybrid quantum-classical approaches offer potential solutions to quantum chemistry problems, yet they often manifest as constrained optimization problems. Here, we explore the inte…

quant-ph2023

QASMTrans: A QASM based Quantum Transpiler Framework for NISQ Devices

Fei Hua, Meng Wang, Gushu Li +8

The success of a quantum algorithm hinges on the ability to orchestrate a successful application induction. Detrimental overheads in mapping general quantum circuits to physically…

quant-ph2022★ 10 cited

Quantum algorithms for generator coordinate methods

Muqing Zheng, Bo Peng, Nathan Wiebe +3

This paper discusses quantum algorithms for the generator coordinate method (GCM) that can be used to benchmark molecular systems. The GCM formalism defined by exponential operator…

cs.CE2021★ 23 cited

Graphical Gaussian Process Regression Model for Aqueous Solvation Free Energy Prediction of Organic Molecules in Redox Flow Battery

Peiyuan Gao, Xiu Yang, Yu-Hang Tang +5

The solvation free energy of organic molecules is a critical parameter in determining emergent properties such as solubility, liquid-phase equilibrium constants, and pKa and redox…

quant-ph2020★ 11 cited

A Bayesian Approach for Characterizing and Mitigating Gate and Measurement Errors

Muqing Zheng, Ang Li, Tamás Terlaky +1

Various noise models have been developed in quantum computing study to describe the propagation and effect of the noise which is caused by imperfect implementation of hardware. Ide…