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15 followers · 28 following
  • Max-Planck-Institut für Nachhaltige Materialien GmbH
  • Dusseldorf
  • 15:54 (UTC +01:00)
  • LinkedIn in/bingxin-li-robin95

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RobinLi-95/README.md

Hi there 👋

Mg_Water_Interface
  • 🔭 Currently working on AI for Science (AI4S), Computational Materials Science & Intelligent Agents for Materials Discovery
  • 🧪 Exploring Materials Foundation Models, Machine Learning for Materials Science, and Multiscale Simulations
  • ⚡ Developing AI agents for Materials Discovery, Structure Prediction & Computational Workflows
  • 👨‍🔬 Research background in DFT, AIMD, Metal Corrosion, High-Entropy Alloys (HEAs) & Metal–Water Interfaces
  • 🤝 Interested in collaborations on AI4S, Materials Informatics, Computational Materials Science, Corrosion & Energy Materials
  • 🛠️ Working with Python, VASP, Pyiron, ML/AI, and AI Agent Frameworks
  • 📫 Reach me at: bingxinli0622@gmail.com
  • 😄 Pronouns: He/Him
  • ⚡ Fun fact: I love Mario Kart 8 and making coffee!
  • 🎡 Based in China 🇨🇳
  • 🌍 Languages: Chinese 🇨🇳 | English 🇬🇧 | A little French 🇫🇷 | Learning German 🇩🇪

Pinned Loading

  1. CP2K_tools CP2K_tools Public

    Codes for preparing/postprocessing CP2K input/output files

    Python 9 5

  2. AiiDA_CP2K_helper AiiDA_CP2K_helper Public

    Some notes/python codes help for running cp2k with aiida

    3

  3. Pyiron4Vasp Pyiron4Vasp Public

    This is a repository for some python codes for setting up VASP calculation with Pyiron

    Python

  4. PyPourbaix PyPourbaix Public

    This is a set of scripts for generating Surface Pourbaix Diagram of Mg surfaces

    Jupyter Notebook 3