đź’Ľ Employment

  • 2024 – now, Postdoctoral researcher, Los Alamos National Lab, NM, USA

🎓 Educations

  • 2018 – 2023, Ph.D. in Materials Science, Columbia University in the City of New York, NY, USA
  • 2016 – 2017, M.Sc. in Materials Science, Columbia University in the City of New York, NY, USA
  • 2012 – 2016, B.Sc. in Physics, Zhejiang University, China

👨‍💻 Programming Skills

  • Languages:
    • Julia, Python, Wolfram Language, LaTeX, Typst, Shell, Ruby
    • TypeScript, JavaScript (with jQuery), HTML, CSS/SCSS
    • Fortran, Haskell, CUDA
  • Data Analysis & Visualization: NumPy, Numba, SciPy, pandas, Matplotlib, DataFrames.jl, Plots.jl, Plotly.js
  • Interfaces: web applications, command-line interface, RESTful API
  • HPC: CMake, Slurm, MPI, Quantum ESPRESSO, VASP, JIT, SIMD, asynchronous and distributed programming
  • DevOps & Cloud: Conda/Mamba, Docker, CI/CD pipelines, Azure services, Cloudflare workers

đź“ť Publications

CPC 2023
express

express: Extensible, high-level workflows for swifter ab initio materials modeling

Summary

  • Abstracted atomistic simulation algorithms into modular, high-performance, software-agnostic workflows in Express.jl GitHub Repo stars, offering flexible execution and composition options
  • Conducted a systematic DFT study to analyze the thermal properties of various earth-forming materials using these workflows
  • Implemented a DAG-based workflow model, facilitating asynchronous and parallel execution of high-throughput jobs with advanced checkpointing capabilities
  • Delivered databases supporting LINQ-style queries for efficient data storage, analysis, and visualization
  • Created a user-centric command-line interface, providing versatile deployment options across virtual environments, local machines, and remote servers
  • Led several pivotal developments in computational physics toolkits that have been well-received within the Julia community:
CPC 2019
qha

qha: A Python package for quasiharmonic free energy calculation for multi-configuration systems

Summary

  • Expanded a theoretical model to encompass multi-configuration systems, with a meticulous analysis of the thermodynamic properties of ordered/disordered phases of ice utilizing numerical methods
  • Developed qha GitHub Repo stars (2801 downloads in the last 6 months), a Python package, enhancing its performance with just-in-time (JIT) compilation and providing a user-friendly command-line interface
  • Streamlined unit testing, documentation generation, building, and release processes for Python packages
  • Created a versatile Python package text-stream, designed to facilitate the seamless reading and printing of str, io.StringIO, and text files
PRB 2021
iron

Thermodynamic properties of $\varepsilon$-Fe with thermal electronic excitation effects on vibrational spectra.

Summary

  • Formulated a free energy calculation scheme based on the phonon gas model, compatible with phonon frequencies affected by thermal electronic excitations, to investigate $\varepsilon$-Fe under Earth’s core conditions
  • Developed geothermpy to systematically derive geotherms from thermodynamic properties, enhancing the analysis accuracy and efficiency
  • Spearheaded a team of three, providing both theoretical insights and programming expertise, ensuring coherent and purpose-driven project development

🔧 Other Projects

  • Contributed to community projects such as Homebrew, Spglib, qe-tools, f90nml, Polynomials.jl, SymmetricTensors.jl
  • Created a user-friendly VS Code formatter extension for Julia GitHub Repo stars (10k+ downloads prior to archiving in March 2022) in TypeScript to improve Julia code readability and consistency
  • Achieved an A+ grade in the course “Scientific Computing” due to the exemplary design and efficient implementation of algorithms for physical and statistical problems, e.g., the Ising model, molecular dynamics, jackknife resampling, and iterative linear solvers
  • Published a Columbia University theme $\LaTeX$ template for Beamer presentations on Overleaf
  • Ported the bisect module, an implementation of the array bisection algorithm, from Python to Julia
  • Solved a 2D Poisson equation effectively on an irregular mesh using Python and C in the “Methods in Computational Science” course
  • Synthesized polycrystalline and single-crystal TiSeâ‚‚ samples, and procured thin films via mechanical exfoliation. Utilized X-ray diffraction for comprehensive characterization of the samples and performed measurements of their low-temperature transport properties. Conducted photolithography and electron-beam physical vapor deposition
  • Engineered a mu-metal magnetic shield utilizing computer-aided design tools with subsequent evaluation of its effectiveness employing finite element analysis software
  • Executed comprehensive simulations of quantum bit chip circuit’s electrical performance, including accurate calculations of the quality factor of resonators and transmission lines with a state-of-the-art electromagnetic field solver

👨‍🏫 Teaching and Tutoring

đź“… Conference Activities

🎖 Honors and Awards

  • 2014 Second Prize of China Undergraduate Physics Tournament. Wuhan, China
  • 2014 Third Prize of Mathematical Contest in Modeling. Zhejiang, China

đź’¬ Talks and Posters