GitHub
hpc-cluster
Run jobs on CU Boulder CURC HPC cluster (Alpine). Use when simulations need more compute than the local workstation, for large-scale parallel jobs, or when GPU resources are needed beyond local availability. Yo...
☆ 2查看技能
fl-sean03 AI Skills
GitHub ↗浏览 fl-sean03 维护的已发布 AI 技能，比较用途与说明，并通过来源仓库了解安装方式。
作者统计
已收录技能
14收录技能的仓库 Stars 合计
21仓库 Forks
0平均每个技能的仓库 Stars
2同一仓库中的多个技能可能共享 Stars，合计包含重复仓库数据。
热门分类
近期收录动态
全部技能
GitHub
literature-search
Search and retrieve scientific literature. Use when asked to find papers, research a topic, find citations, get paper abstracts, or conduct literature reviews. Accesses Semantic Scholar, arXiv, and other academ...
☆ 2查看技能
GitHub
quantum-espresso
Run Quantum ESPRESSO DFT calculations. Use when asked to perform first-principles calculations, SCF, structural relaxation, band structure, DOS, phonons, or any ab initio quantum mechanical calculation.
☆ 2查看技能
GitHub
lammps-simulation
Run LAMMPS molecular dynamics simulations. Use when asked to run MD simulations, energy minimization, equilibration, production runs, or calculate properties like diffusion, RDF, MSD. Supports both CPU and GPU...
☆ 2查看技能
GitHub
data-analysis
Analyze simulation data and compute properties. Use when asked to parse LAMMPS/QE output, calculate diffusion coefficients, RDF, MSD, energies, or generate plots and visualizations.
☆ 2查看技能
GitHub
materials-database
Query materials databases for structures and properties. Use when asked to get crystal structures, material properties, phase diagrams, or thermodynamic data. Primary source is Materials Project, with NIST, Pub...
☆ 2查看技能
GitHub
resource-acquisition
Find and acquire computational science resources autonomously. Use when you need force field parameters, pseudopotentials, crystal structures, or any other scientific data. You are a researcher - you find what...
☆ 2查看技能
GitHub
hpc-cluster
Run jobs on CU Boulder CURC HPC cluster (Alpine). Use when simulations need more compute than the local workstation, for large-scale parallel jobs, or when GPU resources are needed beyond local availability. Yo...
☆ 1查看技能
GitHub
materials-database
Query materials databases for structures and properties. Use when asked to get crystal structures, material properties, phase diagrams, or thermodynamic data. Primary source is Materials Project, with NIST, Pub...
☆ 1查看技能
GitHub
lammps-simulation
Run LAMMPS molecular dynamics simulations. Use when asked to run MD simulations, energy minimization, equilibration, production runs, or calculate properties like diffusion, RDF, MSD. Supports both CPU and GPU...
☆ 1查看技能
GitHub
quantum-espresso
Run Quantum ESPRESSO DFT calculations. Use when asked to perform first-principles calculations, SCF, structural relaxation, band structure, DOS, phonons, or any ab initio quantum mechanical calculation.
☆ 1查看技能
GitHub
data-analysis
Analyze simulation data and compute properties. Use when asked to parse LAMMPS/QE output, calculate diffusion coefficients, RDF, MSD, energies, or generate plots and visualizations.
☆ 1查看技能
GitHub
resource-acquisition
Find and acquire computational science resources autonomously. Use when you need force field parameters, pseudopotentials, crystal structures, or any other scientific data. You are a researcher - you find what...
☆ 1查看技能
GitHub
literature-search
Search and retrieve scientific literature. Use when asked to find papers, research a topic, find citations, get paper abstracts, or conduct literature reviews. Accesses Semantic Scholar, arXiv, and other academ...
☆ 1查看技能
默认按已收录数据中的 GitHub 仓库 Stars 排序。Stars 属于来源仓库，同一仓库的多个技能可能共享相同数值；它反映仓库关注度，不代表单个技能的安装量或质量评分。