Delft, South Holland, Netherlands
Website: https://omoultosethtudelft.github.io/web/
My group focuses on molecular thermodynamics and AI-driven Process & Energy Engineering. My main research lines are (i) hydrogen-storage, purification, and transportation, and environmentally friendly solvents for carbon dioxide capture and utilization, (ii) design of sustainable adsorbents for the removal of PFAS from water. My work integrates large-scale high-performance computing with several simulation methods such as on-the-fly calculations of thermodynamic and transport properties of fluids using molcular dynamics, and phase-, adsorption- and reaction-equilibria using advanced Monte Carlo. I collaborate with industrial partners such as TotalEnergies, Cyclopure, Waternet, Witteveen & Bos, HyET Hydrogen, Magneto, TATA STEEL, XiNTC, TNO, DMT Environmental Tech, and various universities and research institutes around the world. For a full description of my activities and active projects please visit my webpage: https://omoultosethtudelft.github.io/web/
Deploying and testing machine learning models to identify vulnerabilities in software. Data analysis and software development.
Editing the special issue dedicated to the Thermodynamics 2024 Conference.
Editing the special issue on Chemical Physics of Ionic Transport in Solvents, Polymers, and Near Interfaces.
Chemical Engineering Program I worked towards developing molecular based models for studying CO2 capture and sequestration processes. I performed MD and MC simulations for computing various propeties of CO2 mixtures important for CCUS. Developed computational tools to analyze and visualize simulation data using Python and Fortran.