Ph.D. Candidate at Westlake University working on computational chemistry and materials-science software. My current interests include electronic-structure post-processing, molecular dynamics, scientific visualization, and reliable GPU/HPC workflows. I am also a member of the CP2K developers team.

• SSH MountMate - A Rust desktop app for mounting Linux servers as local drives over SSH/SFTP, with OpenSSH config import, rclone integration, and native packages for Windows, macOS, and Linux.
• Multiwfn Cross-Platform Build - Reproducible cross-platform builds, CI, release packaging, numerical checks, and an experimental MatterViz-based GUI around the official Multiwfn source.
• multiwfn2vesta - Python workflows connecting Multiwfn, VESTA, and electronic-structure outputs for real-space analysis and visualization.
• gau_xtb - A cross-platform, standard-library-only Python interface coupling Gaussian to xTB through the Gaussian External keyword.

• CP2K #5601 - Fixed CMake dependent option declarations and accelerator backend conditions for NVHPC, SpLA, and Cray power monitoring.
• MatterViz #377 - Fixed periodic isosurface coordinates for integer supercells.
• LAMMPS #5029 - Fixed a Kokkos eam/fs/kk full-neighbor pressure bug.
• ABACUS #7421 - Fixed Molden GTO normalization and Cartesian coordinate conversion.
• ABACUS #7424 - Standardized Molden output and added a Multiwfn-specific interface.

Python Rust Fortran C++ CUDA Kokkos CMake GitHub Actions Slurm CP2K LAMMPS ABACUS Multiwfn VESTA