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Achievement: YOLO

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AnastasiiaKrokhina/README.md

Hello, I'm Anastasiia 👋

Chemist specialized in chemoinformatics and materials informatics, working at the intersection of machine learning, computational chemistry, and scientific software development.

🔎 Currently looking for PhD and research opportunities in:

  • ML for scientific discovery
  • Atomistic simulations
  • Autonomous experimentation
  • Molecular modelling
  • Computational spectroscopy

🛠️ Tools

Programming: Python, C/C++ MD: LAMMPS, CHARMM, OpenMM, Schrodinger DFT: VASP, CP2K, Gaussian

📫 Contact

LinkedIn: https://www.linkedin.com/in/anastasiia-k-68154824b/

Email: a.krokhina@chemoinformatics.simplelogin.com

Pinned Loading

  1. closed-loop-optimisation-of-catalytic-reactions closed-loop-optimisation-of-catalytic-reactions Public

    Closed-loop optimisation of catalytic reactions

    Python

  2. quantum-molecular-vqe quantum-molecular-vqe Public

    My another hobby project

  3. Protolaw/a2a_binary_classifier Protolaw/a2a_binary_classifier Public

    Jupyter Notebook

  4. Hackathon2024 Hackathon2024 Public

    Jupyter Notebook

  5. Riddars/DataCon Riddars/DataCon Public

    HTML 1