ChiahsinChu
Ph.D. candidate in Xiamen University. Interests: Theoretical and computational electrochemistry.
Xiamen UniversityXiamen, China
Pinned Repositories
2024-JPCC-Pt111_dielectric_profile
ai2-kit
A toolkit featured artificial intelligence × ab initio for computational chemistry research.
al-folio
A beautiful, simple, clean, and responsive Jekyll theme for academics
chenggroup.github.io
XMU Chenglab Wiki
cp2k-user-tutorial-ikkem
lammps-developer-tutorial-ikkem
LAMMPS developer tutorial used in IKKEM HPC.
PaperCollector
pub_repository
WatAnalysis
XMU-Daily-Reporter
厦门大学每日健康打卡程序，在网站上即可实现打卡，支持失败自动重试，支持邮件通知功能。
ChiahsinChu's Repositories
ChiahsinChu/lammps-developer-tutorial-ikkem
LAMMPS developer tutorial used in IKKEM HPC.
ChiahsinChu/PaperCollector
ChiahsinChu/pub_repository
ChiahsinChu/XMU-Daily-Reporter
厦门大学每日健康打卡程序，在网站上即可实现打卡，支持失败自动重试，支持邮件通知功能。
ChiahsinChu/WatAnalysis
ChiahsinChu/ai2-kit
A toolkit featured artificial intelligence × ab initio for computational chemistry research.
ChiahsinChu/al-folio
A beautiful, simple, clean, and responsive Jekyll theme for academics
ChiahsinChu/chenggroup.github.io
XMU Chenglab Wiki
ChiahsinChu/ChiahsinChu
ChiahsinChu/cp2k
Quantum chemistry and solid state physics software package
ChiahsinChu/cp2k-user-tutorial-ikkem
ChiahsinChu/cp2kdata
cp2k postprocessing tools
ChiahsinChu/deepks-kit
a package for developing machine learning-based chemically accurate energy and density functional models
ChiahsinChu/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
ChiahsinChu/DMFF
DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models.
ChiahsinChu/dpdata
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
ChiahsinChu/dpgen
The deep potential generator
ChiahsinChu/freeenergy
ChiahsinChu/lammps
Public development project of the LAMMPS MD software package
ChiahsinChu/lammps-USER-CONP2
updated constant potential plugin for LAMMPS
ChiahsinChu/mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics simulations.
ChiahsinChu/notero
A Zotero plugin for syncing items into Notion
ChiahsinChu/ops_tutorial
Introductory tutorial on TPS, committor analysis, and (MS)TIS with OpenPathSampling
ChiahsinChu/peregrine
Peregrine: A Pattern-Aware Graph Mining System
ChiahsinChu/publications
ChiahsinChu/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
ChiahsinChu/pyscf
Python module for quantum chemistry
ChiahsinChu/QUIP
libAtoms/QUIP molecular dynamics framework: http://www.libatoms.org
ChiahsinChu/starter-hugo-academic
🎓 Hugo Academic Theme 创建一个学术网站. Easily create a beautiful academic résumé or educational website using Hugo and GitHub.
ChiahsinChu/toolbox