My activities are related to molecular simulations in porous solids. I am an expert user of different open-source molecular dynamics and Monte Carlo software. I develop codes for post-processing simulated adsorption isotherms focusing on the pore texture characterization of framework materials and nanoparticles based on gas adsorption. I employ machine learning techniques for screening the performance of porous solids for gas storage and separation. I formulate and execute a sustainable workflow system committed to free energy simulations for liquid–solid and gas–solid interfaces. I script in bash and python.
My activities are related to molecular simulations in porous solids. I am an expert user of different open-source molecular dynamics and Monte Carlo software. I develop codes for post-processing simulated adsorption isotherms focusing on the pore texture characterization of framework materials and nanoparticles based on gas adsorption. I employ machine learning techniques for screening the performance of porous solids for gas storage and separation. I formulate and execute a sustainable workflow system committed to free energy simulations for liquid–solid and gas–solid interfaces. I script in bash and python.