cv

Contact Information

Name Ke Liao
Location New Haven,
Website https://nickirk.github.io/

Professional Summary

A quantum chemist who is enthusiastic about theoretical and algorithmic development to solve strongly correlated quantum systems on classical and quantum computers.

Experience

  • 2025 - Present

    Postdoctoral Associate
    Yale University
    • Quantum Embedding, Machine Learning, Materials
  • 2025 - 2025

    Visiting Postdoctoral Researcher
    Max Planck Institute for Solid State Research, Stuttgart, Germany
    • Density Fitting, Transcorrelation
  • 2023 - 2024

    Teaching Assistant
    Ludwig-Maximilians-Universität München, Munich, Germany
    Teaching assistant to Quantum Information Theory course.
    • Quantum Information Theory, Quantum Computing
  • 2023 - 2024

    Postdoctoral Researcher
    Ludwig-Maximilians-Universität München, Munich, Germany
    Combining quantum information theory and quantum chemistry into a general orbital optimization algorithm that compactifies the quantum state representation.
    • Quantum Information Theory, Orbital Optimization, Tailored Coupled Cluster, Quantum Chemistry
  • 2022 - 2023

    Postdoctoral Researcher
    California Institute of Technology, Pasadena, USA
    Developed the transcorrelated densitry matrix renormalization group (TC-DMRG) which solves non-Hermitian Hamiltonians for ground and excited states. Implemented the canonical transformation theory and transcorrelated equation-of-motion coupled cluster singles and doubles.
    • TC-DMRG, Canonical Transformation, TC-EOM-CCSD
  • 2021 - 2022

    Postdoctoral Researcher part-time 80%
    Max Planck Institute for Solid State Research, Stuttgart, Germany
    Implemented the transcorrelated integrals for periodic solids in TCHInt library.
    • TC, periodic systems, TCHInt
  • 2021 - 2022

    External Scientific Consultant part-time 20% (remote)
    ByteDance, Beijing, China
    Working at the intersection of quantum chemistry and machine learning, evaluating ideas for new projects and giving advice for solving concrete problems.
    • Machine Learning
    • AI
    • Deep Learning
  • -

    Peer Reviewer
    Academic Journals
    Reviewer for Physical Review X (PRX), Quantum, and Physical Review B (PRB)

Education

  • 2017 - 2021

    Stuttgart, Germany

    PhD
    International Max Planck Research School for Condensed Matter Science
    Quantum Chemistry
  • 2015 - 2017

    Stuttgart, Germany

    Master
    International Max Planck Research School for Condensed Matter Science
    Physics
  • 2014 - 2015

    London, UK

    Exchange Student
    King's College London
    Physics
  • 2011 - 2015

    Wuhan, China

    Bachelor
    Wuhan University
    Physics

Skills

HPC Computational Physics, Method Development, Quantum Chemistry, Python, C++, Fortran:

Languages

Chinese : Native speaker
English : Advanced
German : Intermediate