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4 followers · 31 following
  • Chemistry Institute of São Paulo University USP
  • Brazil

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StochasticCactus/README.md

Computational Biochemistry PhD Student

🧠 About Me

  • 🔬 PhD Student in Biochemistry
  • 🌡️ Focused on Molecular Dynamics Simulations and Statistical Mechanics
  • ⚗️ Interested in theoretical biophysics, free energy methods, quantum chemistry calculations and scientific programming
  • 📚 Currently learning: Statistical Mechanics and Advanced Simulation Techniques
  • 💬 Ask me about: MD Simulations
  • 😄 Pronouns: He/Him/His

🧰 Languages & Tools

🔭 Current Projects

  • 🚧 Monte Carlo simulations of Lennard-Jones gases with Cython + OpenMP and Fortran
  • molecules-4 A Proof of Concept Molecular Dynamics simulations Package
  • 🧪 Cluster analysis tools for atomic simulations in Fortran

📌 Featured Repos (Coming soon...)

Stay tuned for some open-source tools and simulation scripts I've been working on!

Pinned Loading

  1. ClusterAnalysis-1.0 ClusterAnalysis-1.0 Public

    A Simple Cluster Analysis Program Fortran 90

    Fortran 1

  2. scientific-papers-finder scientific-papers-finder Public

    A basic web crawler to search through google scholar and filter scientific paper according to some criterium

    Python 2 2

  3. MonteCarlo-1.0 MonteCarlo-1.0 Public

    Cython

  4. WaterDeletors WaterDeletors Public

    These programs are designed to remove water molecules (oxygen and associated hydrogens) from a structure file that are within a specified cutoff distance from the center of the simulation box.

    C

  5. Simple-MD Simple-MD Public

    A simple Molecular Dynamics simulation of a Lennard jones gas in C

    C

  6. CactusPlot CactusPlot Public

    Rust