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fr-0zt/README.md

👋 Hi, I'm Senal Liyanage

🔬 Computational Chemist | 🧠 Molecular Modeler | ⚛️ MD Enthusiast

I specialize in molecular modeling, quantum chemistry, and biophysics — solving complex problems using simulation and advanced theoretical techniques.

GitHub followers Profile views

🔭 Projects

🛠️ Tools

  • 🧮 Quantum Chemistry: Q-Chem, GAMESS, Gaussian, TDDFT, EFP
  • 🔬 Molecular Dynamics: AMBER, GROMACS, VMD, cpptraj
  • 💻 Scripting & Analysis: Python, Bash, Pandas, Matplotlib, MDAnalysis
  • ☁️ HPC & Automation: SLURM, GitHub Actions, job scripting on clusters

👯 Open to Collaboration

I’m happy to collaborate on:

  • Molecular dynamics simulations
  • Quantum chemical modeling
  • Free energy and thermodynamic analyses
  • Projects in biophysics, material science, or drug discovery

💬 Ask Me About

  • ⚛️ Quantum Chemistry: TD-DFT, EFP, excited state modeling
  • 🔄 Molecular Dynamics: Free energy methods, ligand binding, lipid bilayers
  • ⚙️ Automation: Python scripting for workflows and post-processing

📫 Get in Touch

📈 GitHub Stats

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