Expertise
Molecular modeling, mainly DFTB (fast DFT) calculations and Metadynamics simulations

Instrumentation
Access to MERCURY clusters and the Ohio Supercomputer Center, as well as two workstations with dedicated molecular modeling software for students.

Background & Research Interest
My group is currently investigating the dynamics of water on zirconia and yttria-stabilized zirconia surfaces and nanofiltration filtration through Graphynes’ pores. More details here: https://oliveiralfl.github.io/research/