Christos Dimitroulis


Chemist MSc. - Software Developer


Research Interests

Molecular simulation of matter, Computational Chemistry.


  • MSc. at National Kapodistrian University of Athens, Department of Chemistry. 2010 - 2012
  • Bsc. at National Kapodistrian University of Athens, Department of Chemistry. 2002 - 2010

Projects - Work Experience

  • 2013. Senior chemical analyst in Pachi airport, Megara. Responsible for Spectrographic Oil Analysis program. Designed and developed specialised software for analysing statistical data of CH-47D gear states.
  • 2010 - 2012. Chemistry Lab Supervisor.
    • Photochemistry (Visible-IR): I2 Visible spectrum, CO IR spectrum
    • Radiochemistry
    • Quantum Mechanics: ab initio calculation of bond length for several diatomic molecules
    • Conductivity: Measurement for several electrolytes


  • C. Dimitroulis, T. E. Raptis. V. Raptis "POLYANA: A tool for the calculation of molecular radial distribution functions based on Molecular Dynamics trajectories" (accepted for publication to Computer Physics Communications). [preprint]
  • MSc. Thesis: "Statistical Mechanics of partial miscible mixture of 1-hexanol/Water via Molecular Dynamics Simulation" [PDF]
  • BSc. Thesis: "Statistical Mechanics of Super Cooled Water via Molecular Dynamics Simulation" [PDF]
Contact Information: christos.dimitroulis (at)


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