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Brief Portfolio

Yusheng Yang

Quantum Computing, Quantum Chemistry

Focused on simulation and production-ready quantum software.

📍 Beijing, China ✉️ ORCID ORCID: 0000-0002-3584-4954 LinkedIn

Expertise

  • Research
    Quantum Computing Quantum algorithms, circuit design, and validation using quantum simulators.
  • Methods
    Molecular & Materials Simulation Electronic-structure workflows from model setup to result analysis.
  • Engineering
    Software Engineering From algorithm prototypes to stable, maintainable production toolchains.

Experience

Beijing Arclight Quantum Software Technology Co., Ltd.

Quantum Software Engineer · Full-time

2022.07 - Present

Developed production-ready tools for molecular and materials simulations.

Methodology

Unified Workflow, Validation-Driven, Production-Oriented

Build reusable workflows across simulators, quantum toolchains, and ML/QML pipelines

Prioritize reproducibility, reliability, and iteration speed first, then continuously improve performance and model quality to turn research prototypes into production-ready systems.

Unified Workflow Validation Production Engineering
Selected Impact

Materials Simulation Platform Integration

2025

Integrated workflows for molecular and materials simulation

Improved end-to-end efficiency and reliability for sustained production use.

Materials Simulation Workflow Integration Production

Materials Property Prediction with QML

2025

Built a hybrid ML/QML workflow for materials property prediction

Improved predictive performance and robustness across benchmark tasks.

QML Materials Informatics Prediction

Quantum Simulator Platform

2024

Unified CPU/GPU and noisy quantum simulation backends

Improved simulation throughput and validation reliability for realistic circuits.

Quantum Simulator CPU/GPU Noise Simulation

Hubbard & Hamiltonian Simulation

2024

Built a reproducible Hubbard and Hamiltonian simulation workflow

Improved transferability from local experiments to hardware demonstrations and delivered an isqham example.

Hubbard/Hamiltonian Superconducting QC Reproducibility

isQ Toolchain + ML Integration

2023

Integrated isQ and isqtools with ML training workflows

Improved experiment iteration speed and training reliability.

isQ PyTorch QML

Education

College of Chemistry and Molecular Engineering, Peking University
2017.09 - 2022.07

Ph.D. in Science · Theoretical Organic Chemistry

College of Chemistry and Molecular Sciences, Wuhan University
2013.09 - 2017.07

B.S. in Science · Chemistry

Skills

Quantum Computing & Quantum Chemistry

Core

Build practical quantum workflows that are scientifically sound and engineering-ready.

VQE and Hamiltonian simulation implementation; quantum circuit construction and validation; electronic-structure workflows and interpretation.

VQE Hamiltonian Simulation Quantum Chemistry Benchmarking

Backend & Performance Engineering

Advanced

Deliver stable scientific services with strong performance and maintainability.

Python/FastAPI service architecture; C/C++ and CUDA acceleration paths; build, release, and versioned delivery workflows.

FastAPI C/C++ CUDA Git

Scientific Computing & HPC

Specialized

Cover the full path from chemical modeling to parallel optimization on HPC systems.

Gaussian, ORCA, PySCF, QE, VASP, CP2K, LAMMPS; OpenMP/MPI-based parallel workflows; reproducible Linux and containerized environments.

DFT MD MPI HPC

ML, QML & Research Productivity

Applied

Combine classical ML, QML, and LLM-assisted workflows to accelerate validated R&D outcomes.

PyTorch training/evaluation workflows; feature engineering and model comparison; QML experimentation and tooling for faster iteration.

PyTorch QML LLM Tooling Model Evaluation

Research

Publications (—)

2026

  1. Ren, T.; You, C.; Yang, Y.; Zheng, J.; Li, L.; Zhang, X.; Li, X. Stereocontrolled Access to Carbocyclic Nucleosides Bearing Multiple Stereocenters via Desymmetrizing Hydroformylation. J. Am. Chem. Soc. 2026, 148 (8), 8823-8831. DOI: 10.1021/jacs.5c21475.
  2. Li, H.; Yang, Y.; Wang, Z.; Xie, S.; Zha, Z.; Sun, H.; Chen, J.; Sun, J.; Ying, S. Digital Quantum Simulation of Squeezed States via Enhanced Bosonic Encoding and its Demonstration With Superconducting Qubits. Ann. Phys. 2026, 538 (2), e00333. DOI: 10.1002/andp.202500333.

2025

  1. Yang, J.; Yang, Y.; Wang, H.; Liang, S. H.; Ran, C. Molecular Afterglow of Lophine-Based Luminophore and Its Imaging Applications. Angew. Chem. Int. Ed. 2025, 64 (41), e202507174. DOI: 10.1002/anie.202507174.
  2. Han, Y.; Yang, Y.; Cui, J.; Zhao, R. The Impact of Single-Photon Loss on Symmetry Breaking Quantum Error Correction. Phys. Scr. 2025, 100, 055101. DOI: 10.1088/1402-4896/adc3d7.

2024

  1. Li, H.; Yang, Y.; Lv, P.; Qu, J.; Wang, Z.-H.; Sun, J.; Ying, S. Utilizing Quantum Processor for the Analysis of Strongly Correlated Materials. Phys. Scr. 2024, 99, 105117. DOI: 10.1088/1402-4896/ad770b.

2023

  1. Yang, Y.; Li, H.-X.; Zhu, T.-Y.; Zhang, Z.-Y.; Yu, Z.-X. Rh-Catalyzed [4 + 1] Reaction of Cyclopropyl-Capped Dienes (but not Common Dienes) and Carbon Monoxide: Reaction Development and Mechanistic Study. J. Am. Chem. Soc. 2023, 145 (31), 17087-17095. DOI: 10.1021/jacs.3c03047.
  2. Li, C.-L.; Yang, Y.; Zhou, Y.; Duan, Z.-C.; Yu, Z.-X. Strain-Release-Controlled [4 + 2 + 1] Reaction of Cyclopropyl-Capped Diene-ynes/Diene-enes and Carbon Monoxide Catalyzed by Rhodium. J. Am. Chem. Soc. 2023, 145 (9), 5496-5505. DOI: 10.1021/jacs.3c00134.
  3. Liu, J.; Yang, Y.; Shi, W.; Yu, Z.-X. Metalla-Claisen Rearrangement in Gold-Catalyzed [4 + 2] Reaction: A New Elementary Reaction Suggested for Future Reaction Design. Angew. Chem. Int. Ed. 2023, 62 (12), e202217654. DOI: 10.1002/anie.202217654.

2022

  1. Yang, Y.; Tian, Z.-Y.; Li, C.-L.; Yu, Z.-X. Why [4 + 2 + 1] but Not [2 + 2 + 1]? Why Allenes? A Mechanistic Study of the Rhodium-Catalyzed [4 + 2 + 1] Cycloaddition of In Situ Generated Ene–Ene–Allenes and Carbon Monoxide. J. Org. Chem. 2022, 87 (16), 10576-10591. DOI: 10.1021/acs.joc.2c00406.
  2. Li, C.-L.; Yang, Y.; Zhou, Y.; Yu, Z.-X. A Formal [3+3+1] Reaction of Enyne-Methylenecyclopropanes through Au(I)- Catalyzed Enyne Cycloisomerization and Rh(I)-Catalyzed [6+1] Reaction of Vinylspiropentanes and CO. Asian J. Org. Chem. 2022, 11, e202100571. DOI: 10.1002/ajoc.202100571.

2020

  1. Zhang, Z.-B.; Yang, Y.; Yu, Z.-X.; Xia, J.-B. Lewis Base-Catalyzed Amino-Acylation of Arylallenes via C–N Bond Cleavage: Reaction Development and Mechanistic Studies. ACS Catal. 2020, 10 (10), 5419-5429. DOI: 10.1021/acscatal.0c01000.

2018

  1. Li, X.; You, C.; Yang, Y.; Yang, Y.; Li, P.; Gu, G.; Chung, L. W.; Lv, H.; Zhang, X. Rhodium-catalyzed asymmetric hydrogenation of β-cyanocinnamic esters with the assistance of a single hydrogen bond in a precise position. Chem. Sci. 2018, 9, 1919-1924. DOI: 10.1039/c7sc04639a.
  2. You, C.; Li, X.; Yang, Y.; Yang, Y.-S.; Tan, X.; Li, S.; Wei, B.; Lv, H.; Chung, L.-W.; Zhang, X. Silicon-oriented regio- and enantioselective rhodium-catalyzed hydroformylation. Nat. Commun. 2018, 9, 2045. DOI: 10.1038/s41467-018-04277-7.

2017

  1. Li, X.; You, C.; Yang, Y.; Wang, F.; Li, S.; Lv, H.; Zhang, X. Rhodium-catalyzed enantioselective hydrogenation of α-amino acrylonitriles: an efficient approach to synthesizing chiral α-amino nitriles. Chem. Commun. 2017, 53, 1313-1316. DOI: 10.1039/c6cc09662j.
  2. Li, X.; You, C.; Yang, H.; Che, J.; Chen, P.; Yang, Y.; Lv, H.; Zhang, X. Rhodium-Catalyzed Asymmetric Hydrogenation of Tetrasubstituted Cyclic Enamides: Efficient Access to Chiral Cycloalkylamine Derivatives. Adv. Synth. Catal. 2017, 359 (4), 597-602. DOI: 10.1002/adsc.201601135.

2016

  1. You, C.; Wei, B.; Li, X.; Yang, Y.; Liu, Y.; Lv, H.; Zhang, X. Rhodium-Catalyzed Desymmetrization by Hydroformylation of Cyclopentenes: Synthesis of Chiral Carbocyclic Nucleosides. Angew. Chem. Int. Ed. 2016, 55 (22), 6511-6514. DOI: 10.1002/anie.201601478.