Yuan Liu

QBE-SQD code and data

Bierman, J., & Liu, Y. (2026, January 12). Zenodo (CERN European Organization for Nuclear Research), Vol. 1.

QBE-SQD code and data

Bierman, J., & Liu, Y. (2026, January 12). Zenodo (CERN European Organization for Nuclear Research), Vol. 1.

Quantum Computing Beyond Ground-State Electronic Structure: A Review of Progress Toward Quantum Chemistry Out of the Ground State

Bidart, A., Vaish, P., Kabengele, T., Pang, Y., Liu, Y., & Rubenstein, B. M. (2026, February 27). Annual Review of Physical Chemistry.

Scalable quantum computational science: A perspective from block-encodings and polynomial transformations

Joven, K. J., Das, E. R., Bierman, J., Majumdar, A., Heris, M. H., & Liu, Y. (2026, February 5). APL Computational Physics, Vol. 2.

Towards Utility-Scale Electronic Structure with Sample-Based Quantum Bootstrap Embedding

Bierman, J., & Liu, Y. (2026, February 25).

Towards utility-scale electronic structure with sample-based quantum bootstrap embedding

Bierman, J., & Liu, Y. (2026, January 1). Digital Discovery, Vol. 1.

A Computational Framework for Simulations of Dissipative Nonadiabatic Dynamics on Hybrid Oscillator-Qubit Quantum Devices

Vu, N. P., Dong, D., Dan, X., Lyu, N., Batista, V., & Liu, Y. (2025, June 18). Journal of Chemical Theory and Computation.

Clifford Circuit-Based Heuristic Optimization of Fermion-To-Qubit Mappings

Yu, J., Liu, Y., Sugiura, S., Voorhis, T. V., & Zeytinoğlu, S. (2025, September 15). Journal of Chemical Theory and Computation, Vol. 9.

Co-designing Spectral Transformation Oracles with Hybrid Oscillator-Qubit Quantum Processors: From Algorithms to Compilation

Bell, L., Wang, Y., Smith, K. C., Liu, Y., Dumitrescu, E., & Girvin, S. M. (2025, October 30). PRX Quantum.

Genesis: A Compiler for Hamiltonian Simulation on Hybrid CV-DV Quantum Computers

Chen, Z., Li, J., Guo, M., Chen, H., Li, Z., Bierman, J., … Zhang, E. Z. (2025, June 20).

Hybrid Oscillator-Qubit Quantum Processors: Instruction Set Architecture, Abstract Machine Models, and Applications

International Symposium of Computer Architecture (ISCA 2025). Presented at the International Symposium of Computer Architecture (ISCA 2025), Tokyo, Japan.

Hybrid Oscillator-Qubit Quantum Processors: Instruction Set Architectures, Abstract Machine Models, and Applications

Liu, Y., Singh, S., Smith, K. C., Crane, E., Martyn, J. M., Eickbusch, A., … Girvin, S. M. (2025, September 15). PRX Quantum, Vol. 9.

Implementing Finite Impulse Response Filters on Quantum Computers

2025 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP). Presented at the 2025 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP).

Parallel Quantum Signal Processing Via Polynomial Factorization

Martyn, J. M., Rossi, Z. M., Cheng, K. Z., Liu, Y., & Chuang, I. L. (2025, August 27). Quantum.

Quantum Computing Today: A Status Overview

Liu, Y. (2025, December 1). Computer.

Toward Mixed Analog-Digital Quantum Signal Processing: Quantum AD/DA Conversion and the Fourier Transform

Liu, Y., Martyn, J. M., Sinanan-Singh, J., Smith, K. C., Girvin, S. M., & Chuang, I. L. (2025, January 1). IEEE Transactions on Signal Processing.

Towards Utility-Scale Electronic Structure with Sample-Based Quantum Bootstrap Embedding

Bierman, J., & Liu, Y. (2025, September 19).

Tutorial on \Hybrid Continuous-Discrete Variable Quantum Computation

APS March-April Meeting (Global Physics Summit). Presented at the APS March-April Meeting (Global Physics Summit), Anaheim CA.

Unification of finite symmetries in the simulation of many-body systems on quantum computers

Bastidas, V. M., Fitzpatrick, N., Joven, K. J., Rossi, Z. M., Islam, S., Voorhis, T. V., … Liu, Y. (2025, May 16). Physical Review. A/Physical Review, A, Vol. 111.

Unification of nite symmetries in simulation of many-body systems on quantum computers

Quantum Computing Theory in Practice (QCTiP) conference. Presented at the Quantum Computing Theory in Practice (QCTiP) conference, Berlin, Germany.

Unleashing the power of quantum computation with oscillators and qubits

Physics colloquium. Presented at the Physics colloquium, Virginia Commonwealth University, Richmond, VA.

ARQUIN: Architectures for Multinode Superconducting Quantum Computers

Ang, J., Carini, G., Chen, Y., Chuang, I., Demarco, M., Economou, S., … Zhou, Y. (2024, July 26). ACM Transactions on Quantum Computing.

Bootstrap embedding on a quantum computer

American Conference on Theoretical Chemistry (ACTC). Presented at the American Conference on Theoretical Chemistry (ACTC), Chapel Hill, NC.

Error Mitigation of Hamiltonian Simulations from an Analog-Based Compiler (SimuQ)

Hybrid Oscillator-Qubit Quantum Processors: Instruction Set Architectures, Abstract Machine Models, and Applications

Liu, Y., Singh, S., Smith, K. C., Crane, E., Martyn, J. M., Eickbusch, A., … Girvin, S. M. (2024, July 15). ArXiv (Cornell University).

Hybrid Oscillator-Qubit Quantum Processors: Instruction Set Architectures, Abstract Machine Models, and Applications

Southeast Quantum Workshop. Presented at the Southeast Quantum Workshop, University of Tennessee, Knoxville, Tennessee.

Hybrid Oscillator-Qubit Quantum Processors: Instruction Set Architectures, Abstract Machine Models, and Applications

Southwest Quantum Information and Technology Workshop (SQuInT). Presented at the Southwest Quantum Information and Technology Workshop (SQuInT), Boulder CO.

Opportunities and challenges of bosonic oscillators for quantum computation and information processing

From NISQ to Fault Tolerance" Symposium, APS March Meeting. Presented at the From NISQ to Fault Tolerance" Symposium, APS March Meeting, Minneapolis MN.

Parallel Quantum Signal Processing Via Polynomial Factorization

Martyn, J. M., Rossi, Z. M., Cheng, K. Z., Liu, Y., & Chuang, I. L. (2024, September 27). ArXiv (Cornell University).

Protocols and Applications of Quantum Stack Memory

QuantumOS Workshop. Poster presented at the QuantumOS Workshop, Austin TX.

Quanta-Bind: A Quantum Computing Pipeline for Modeling Strongly Correlated Metal-Protein Interactions

2024 IEEE International Conference on Quantum Computing and Engineering (QCE), 538–544.

Quantum Signal Processing and Quantum Singular Value Transformation on $U(N)$

Lu, Xi, Liu, Y., & Lin, H. (2024, July 19). ArXiv (Cornell University).

Single-shot Quantum Signal Processing Interferometry

Sinanan-Singh, J., Mintzer, G. L., Chuang, I. L., & Liu, Y. (2024, July 30). Quantum.

Toward Mixed Analog-Digital Quantum Signal Processing

4th Annual Quantum Symposium. Presented at the 4th Annual Quantum Symposium, Raleigh, NC.

Toward Mixed Analog-Digital Quantum Signal Processing: Quantum AD/DA Conversion and the Fourier Transform

Liu, Y., Martyn, J. M., Sinanan-Singh, J., Smith, K. C., Girvin, S. M., & Chuang, I. L. (2024, August 27). ArXiv (Cornell University).

Unification of Finite Symmetries in Simulation of Many-body Systems on Quantum Computers

Bastidas, V. M., Fitzpatrick, N., Joven, K. J., Rossi, Z. M., Islam, S., Van Voorhis, T., … Liu, Y. (2024, November 7). ArXiv (Cornell University).

Bootstrap Embedding on a Quantum Computer

Journal of Chemical Theory and Computation, 19(8), 2230–2247.

Efficient fully-coherent quantum signal processing algorithms for real-time dynamics simulation

The Journal of Chemical Physics, 158(2).

Error Correction of Quantum Algorithms: Arbitrarily Accurate Recovery Of Noisy Quantum Signal Processing

In arXiv (Cornell University) (ArXiv Preprint No. 2301.08542).

Instruction Set Architecture and Abstract Machine Models for Hybrid Oscillator-Qubit Processors

Co-Design Center for Quantum Advantage (C2QA) All Hands Meeting. Theory Keynote presented at the Co-Design Center for Quantum Advantage (C2QA) All Hands Meeting, Department of Energy.

New quantum algorithms for old challenges: from real-time dynamics to electronic structure theory

ACS Northeast Regional Meeting (NERM). Presented at the ACS Northeast Regional Meeting (NERM), Boston, Massachusetts.

Observation of a Polarization-Assisted Dipole-Bound State

Journal of the American Chemical Society, 145(9), 5512–5522.

Perturbative model of noisy quantum signal processing

Physical Review A, 107(4).

Quantum Advantage in Continuous-Variable Algorithmic Sensing"

Quantum Sensing Gordon Research Seminar. Presented at the Quantum Sensing Gordon Research Seminar, Les Diablerets, VD, Switzerland.

Single-shot Quantum Signal Processing Interferometry

In arXiv (Cornell University) (ArXiv Preprint No. 2311.13703).

1/ω electric-field noise in surface ion traps from correlated adsorbate dynamics

Foulon, B. L., Ray, K. G., Kim, C.-E., Liu, Y., Rubenstein, B. M., & Lordi, V. (2022, January 19). Physical Review. A/Physical Review, A, Vol. 105.

Architectures for Multinode Superconducting Quantum Computers

In arXiv (Cornell University) (ArXiv Preprint No. 2212.06167).

Bootstrap Embedding on a Quantum Compute

Co-Design Center for Quantum Advantage (C2QA) All Hands Meeting. Flash talk presented at the Co-Design Center for Quantum Advantage (C2QA) All Hands Meeting, Yale University.

Constructing qudits from infinite-dimensional oscillators by coupling to qubits

Conference on Quantum Information and Quantum Control IX (CQIQC-IX). Presented at the Conference on Quantum Information and Quantum Control IX (CQIQC-IX), Toronto.

Efficient-Fully Coherent Hamiltonian Simulation

American Chemical Society Fall Meeting. Presented at the American Chemical Society Fall Meeting, Chicago, Illinois.

Efficient-Fully Coherent Hamiltonian Simulation

IBM-MIT Quantum Information Theory Meeting. Presented at the IBM-MIT Quantum Information Theory Meeting, Massachusetts Institute of Technology, Cambridge MA.

Observation of a symmetry-forbidden excited quadrupole-bound state

American Chemical Society Fall Meeting. Presented at the American Chemical Society Fall Meeting, Chicago, Illinois.

Constructing Qudits from Infinite Dimensional Oscillators by Coupling to Qubits

American Physical Society March Meeting. Presented at the American Physical Society March Meeting.

Constructing Qudits from Infinite Dimensional Oscillators by Coupling to Qubits

MIT-NTT Quantum Information Group Meeting. Presented at the MIT-NTT Quantum Information Group Meeting.

Constructing qudits from infinite-dimensional oscillators by coupling to qubits

Physical Review A, 104(3).

Probing the Dipole-Bound State in the 9-Phenanthrolate Anion by Photodetachment Spectroscopy, Resonant Two-Photon Photoelectron Imaging, and Resonant Photoelectron Spectroscopy

Yuan, D.-F., Zhang, Y.-R., Qian, C.-H., Liu, Y., & Wang, L.-S. (2021, April 2). The Journal of Physical Chemistry A, Vol. 125, pp. 2967–2976.

Finite temperature auxiliary field quantum Monte Carlo in the canonical ensemble

Shen, T., Liu, Y., Yu, Y., & Rubenstein, B. M. (2020, November 25). The Journal of Chemical Physics, Vol. 153, p. 204108.

Observation of a π-Type Dipole-Bound State in Molecular Anions

Yuan, D.-F., Liu, Y., Qian, C.-H., Zhang, Y.-R., Rubenstein, B. M., & Wang, L.-S. (2020, August 14). Physical Review Letters, Vol. 125.

Observation of a Symmetry-Forbidden Excited Quadrupole-Bound State

Liu, Y., Zhu, G.-Z., Yuan, D.-F., Qian, C.-H., Zhang, Y.-R., Rubenstein, B. M., & Wang, L.-S. (2020, November 13). Journal of the American Chemical Society, Vol. 142, pp. 20240–20246.

Polarization of Valence Orbitals by the Intramolecular Electric Field from a Diffuse Dipole-Bound Electron

Yuan, D.-F., Liu, Y., Qian, C.-H., Kocheril, G. S., Zhang, Y.-R., Rubenstein, B. M., & Wang, L.-S. (2020, September 8). The Journal of Physical Chemistry Letters, Vol. 11, pp. 7914–7919.

Unveiling the Finite Temperature Physics of Hydrogen Chains via Auxiliary Field Quantum Monte Carlo

Liu, Y., Shen, T., Zhang, H., & Rubenstein, B. (2020, May 26). Journal of Chemical Theory and Computation, Vol. 16, pp. 4298–4314.

A Language for Molecular Computation

Foulon, B. L., Liu, Y., Rosenstein, J. K., & Rubenstein, B. M. (2019, December 1). Chem, Vol. 5, pp. 3017–3019.

Double- and multi-slit interference in photodetachment from nanometer organic molecular anions

Liu, Y., Ning, C.-G., & Wang, L.-S. (2019, June 26). The Journal of Chemical Physics, Vol. 150, p. 244302.

Publisher’s Note: “Double- and multi-slit interference in photodetachment from nanometer organic molecular anions” [J. Chem. Phys. 150, 244302 (2019)]

Liu, Y., Ning, C.-G., & Wang, L.-S. (2019, August 16). The Journal of Chemical Physics, Vol. 151.

Resonant Two-Photon Photoelectron Imaging and Intersystem Crossing from Excited Dipole-Bound States of Cold Anions

Zhu, G.-Z., Cheung, L. F., Liu, Y., Qian, C.-H., & Wang, L.-S. (2019, July 17). The Journal of Physical Chemistry Letters, Vol. 10, pp. 4339–4344.

Ab Initio Finite Temperature Auxiliary Field Quantum Monte Carlo

Liu, Y., Cho, M., & Rubenstein, B. (2018, August 13). Journal of Chemical Theory and Computation, Vol. 14, pp. 4722–4732.

Ab initio Finite Temperature Auxiliary Field Quantum Monte Carlo

American Physical Society National Meeting. Presented at the American Physical Society National Meeting, Los Angeles CA.

Probing the interaction between the encapsulated water molecule and the fullerene cages in H₂O@C₆₀⁻ and H₂O@C₅₉N⁻

Zhu, G.-Z., Liu, Y., Hashikawa, Y., Zhang, Q.-F., Murata, Y., & Wang, L.-S. (2018, January 1). Chemical Science, Vol. 9, pp. 5666–5671.

High-Resolution Photoelectron Imaging of Cryogenically-Cooled C₅₉N^– and (C₅₉N)₂^2– Azafullerene Anions

Zhu, G.-Z., Hashikawa, Y., Liu, Y., Zhang, Q.-F., Cheung, L. F., Murata, Y., & Wang, L.-S. (2017, December 11). The Journal of Physical Chemistry Letters, Vol. 8, pp. 6220–6225.

Observation of Excited Quadrupole-Bound States in Cold Anions

Zhu, G.-Z., Liu, Y., & Wang, L.-S. (2017, July 11). Physical Review Letters, Vol. 119.

Photodetachment spectroscopy and resonant photoelectron imaging of cryogenically-cooled deprotonated 2-hydroxypyrimidine anions

Huang, D.-L., Zhu, G.-Z., Liu, Y., & Wang, L.-S. (2016, November 5). Journal of Molecular Spectroscopy, Vol. 332, pp. 86–93.

Calculation of photodetachment cross sections and photoelectron angular distributions of negative ions using density functional theory

Liu, Y., & Ning, C. (2015, October 13). The Journal of Chemical Physics, Vol. 143, p. 144310.

Vibrational State-Selective Resonant Two-Photon Photoelectron Spectroscopy of AuS^– via a Spin-Forbidden Excited State

Liu, H.-T., Huang, D.-L., Liu, Y., Cheung, L.-F., Dau, P. D., Ning, C.-G., & Wang, L.-S. (2015, January 30). The Journal of Physical Chemistry Letters, Vol. 6, pp. 637–642.

Assessment of delocalized and localized molecular orbitals through electron momentum spectroscopy

Liu, Y., Cheung, L.-F., & Ning, C.-G. (2014, May 30). Chinese Physics B, Vol. 23, p. 063403.

Calculation of Photoelectron Angular Distributions

Liu, Y. (B.S. Thesis). Tsinghua University.

Finite Temperature Physics of Molecules and Solids via Auxiliary Field Quantum Monte Carlo and Observation of p-Type Dipole-Bound States Near the Molecular Threshold

Liu, Y. (Ph.D. Thesis). Brown University.