Our current research program is devoted to investigating the self-assembly of biological and biomimetic nanoscale materials based on amino acids and on nucleic acids using computational and theoretical methods. These materials have potential applications in nanotechnology, drug delivery, tissue engineering, gene therapy, disease diagnostics, antiviral therapeutics and imaging agent development. In particular, we are developing multi-scale modeling methods that are applicable to the examination of dynamics and assembly of complex biological structures, e.g., viruses, DNA/RNA nanostructures, etc.

Also, we aim to elucidate molecular-level phase separation process of complex fluids to extract metal ions from used nuclear fuels via atomistic simulations.