Projects & publications

Work, in context.

Current research, scientific software, and a few things built out of curiosity.

In progress

01 / Scientific software

Conceptual illustration

In development

NWQLib

A scientific-computing library connecting problem inputs, quantum algorithms, execution, and result analysis.

Public release in preparation.

About this work & my contribution

Methods cover linear dynamics and linear systems, energy and phase estimation, and optimization. Shared workflows make algorithm choices, resource requirements, and the meaning of each result explicit.

My contribution. Algorithm implementation and integration within a shared scientific-computing framework.

02 / Quantum algorithms

Conceptual illustration

Ongoing

Hybrid CV–DV algorithms

Developing algorithms that combine continuous-variable and discrete-variable quantum systems for scientific computation.

Earlier work

About this work & my contribution

Building on hybrid CV–DV methods for linear combinations of Hamiltonian simulation.

My contribution. Algorithm research and numerical implementation.

Related publications

arXiv · 2025 Preprint
Hybrid continuous-discrete-variable quantum computing: a guide to utility
Preprint

03 / Quantum chemistry

Conceptual illustration

Ongoing

Downfolding & QFlow

Implementing downfolding and quantum-flow methods for correlated electronic systems, in collaboration with Karol Kowalski.

About this work & my contribution

Computational implementations of downfolding and quantum-flow methods for quantum chemistry.

My contribution. Method implementation in collaboration with Karol Kowalski.

Related publications

Physical Review Research 8, 013072 · 2026 Published
Coupled cluster downfolding theory in simulations of correlated systems on quantum hardware
Paper Preprint
Authors & citation
Nicholas P. Bauman, Muqing Zheng, Chenxu Liu, Nathan M. Myers, Ajay Panyala, Bo Peng, Ang Li, and Karol Kowalski.
Coupled cluster downfolding theory in simulations of correlated systems on quantum hardware. Physical Review Research 8, 013072 (2026). DOI: 10.1103/b1t6-ln6v.

Research contributions

04 / Quantum chemistry

Conceptual illustration

Published work

Quantum chemistry & subspace methods

Studying generator coordinate and generator coordinate inspired methods for quantum chemistry.

About this work

Related studies explore quantum subspace methods and alternatives to constrained variational optimization.

Related publications

npj Quantum Information 10, 127 · 2024 Published
Unleashed from constrained optimization: quantum computing for quantum chemistry employing generator coordinate inspired method
Paper Code
Authors & citation
Muqing Zheng, Bo Peng, Ang Li, Xiu Yang, Karol Kowalski.
Unleashed from constrained optimization: quantum computing for quantum chemistry employing generator coordinate inspired method. npj Quantum Information 10, 127 (2024). DOI: 10.1038/s41534-024-00916-8.
Physical Review Research 5, 023200 · 2023 Published
Quantum algorithms for generator coordinate methods
Paper
Authors & citation
Muqing Zheng, Bo Peng, Nathan Wiebe, Ang Li, Xiu Yang, Karol Kowalski.
Quantum algorithms for generator coordinate methods. Physical Review Research 5, 023200 (2023). DOI: 10.1103/PhysRevResearch.5.023200.
Journal of Chemical Theory and Computation 21, 11335–11357 · 2025 Published
A Perspective on Quantum Computing Applications in Quantum Chemistry Using 25–100 Logical Qubits
Paper Preprint

05 / Scientific computing

Conceptual illustration

Published & preprint work

Differential equations & neural operators

Exploring quantum neural operators and linear solvers for scientific applications.

About this work

This collection brings together work on Quantum DeepONet and investigations of the HHL quantum linear solver.

Related publications

Quantum 9, 1761 · 2025 Published
Quantum DeepONet: Neural operators accelerated by quantum computing
Paper
Authors & citation
Pengpeng Xiao, Muqing Zheng, Anran Jiao, Xiu Yang, Lu Lu.
Quantum DeepONet: Neural operators accelerated by quantum computing. Quantum 9, 1761 (2025). DOI: 10.22331/q-2025-06-04-1761.
Algorithms 18(8), 491 · 2025 Published
An Early Investigation of the HHL Quantum Linear Solver for Scientific Applications
Paper Preprint
Authors & citation
Muqing Zheng, Chenxu Liu, Samuel Stein, Xiangyu Li, Johannes Mülmenstädt, Yousu Chen, Ang Li.
An Early Investigation of the HHL Quantum Linear Solver for Scientific Applications. Algorithms 18(8), 491 (2025). DOI: 10.3390/a18080491.
IEEE PES General Meeting · 2024 Published
Early Exploration of a Flexible Framework for Efficient Quantum Linear Solvers in Power Systems
Paper
Authors & citation
Muqing Zheng, Yousu Chen, Xiu Yang, and Ang Li.
Early Exploration of a Flexible Framework for Efficient Quantum Linear Solvers in Power Systems. IEEE PES General Meeting (2024). DOI: 10.1109/PESGM51994.2024.10688916.

06 / Quantum reliability

Conceptual illustration

Published work

Bayesian error mitigation

A Bayesian approach to characterizing and mitigating gate and measurement errors.

Related publications

ACM Transactions on Quantum Computing 4(2), Article 11 · 2023 Published
A Bayesian Approach for Characterizing and Mitigating Gate and Measurement Errors
Paper
Authors & citation
Muqing Zheng, Ang Li, Tamás Terlaky, and Xiu Yang.
A Bayesian Approach for Characterizing and Mitigating Gate and Measurement Errors. ACM Transactions on Quantum Computing 4(2), Article 11 (2023). DOI: 10.1145/3563397.

07 / Collaborative research

Conceptual illustration

Published & preprint work

Quantum systems & simulation

Collaborative work on quantum compilation, noisy simulation, hardware co-design, and entanglement purification.

Related publications

IEEE International Conference on Quantum Computing and Engineering · 2025 Published
Design of an Entanglement Purification Protocol Selection Module
Preprint
Authors & citation
Yue Shi, Chenxu Liu, Samuel Stein, Meng Wang, Muqing Zheng, and Ang Li.
Design of an Entanglement Purification Protocol Selection Module. IEEE International Conference on Quantum Computing and Engineering (2025).
arXiv · 2024 Preprint
TANQ-Sim: Tensorcore Accelerated Noisy Quantum System Simulation via QIR on Perlmutter HPC
Preprint
arXiv · 2024 Preprint
AQM: A Refresh of the Abstract Qubit Model for Quantum Computing Co-design
Preprint
SC 2023 Workshops, 1468–1477 · 2023 Published
QASMTrans: A QASM Quantum Transpiler Framework for NISQ Devices
Paper
Authors & citation
Fei Hua, Meng Wang, Gushu Li, Bo Peng, Chenxu Liu, Muqing Zheng, Samuel Stein, Yufei Ding, Eddy Z. Zhang, Travis Humble, Ang Li.
QASMTrans: A QASM Quantum Transpiler Framework for NISQ Devices. SC 2023 Workshops, 1468–1477 (2023). DOI: 10.1145/3624062.3624222.

08 / Scientific machine learning

Conceptual illustration

Published work

Learning molecular properties

Graphical Gaussian process regression for solvation free-energy prediction in redox flow batteries.

Related publications

Physical Chemistry Chemical Physics 23, 24892–24904 · 2021 Published
Graphical Gaussian process regression model for aqueous solvation free energy prediction of organic molecules in redox flow batteries
Preprint
Authors & citation
Peiyuan Gao, Xiu Yang, Yu-Hang Tang, Muqing Zheng, Amity Andersen, Vijayakumar Murugesan, Aaron Hollas, and Wei Wang.
Graphical Gaussian process regression model for aqueous solvation free energy prediction of organic molecules in redox flow batteries. Physical Chemistry Chemical Physics 23, 24892–24904 (2021).

Tools & other work

09 / Research tools

Conceptual illustration

Open source

Research & Scientific Library Skills

A maintained collection of Codex skills for research planning, scientific computing, writing, figures, and review.

Repository

About this work

The collection includes original work and adaptations of upstream skills, with attribution documented in the repository.

10 / Personal project

Conceptual illustration

Open source

Starfield Skill Planner

Plan skill ranks, check level requirements, and export console commands. Runs locally, in English or Chinese.

Open planner Repository