Projects

Modeling and Prediction of Toxicity and Physical Properties of Nanomaterials

Modeling and Prediction of Toxicity and Physical Properties of Nanomaterials

The project is directed by Dr. Jerzy Leszczynski and Dr. Danuta Leszczynska. This project uses methods of computational chemistry to characterize properties of nanomaterials. QSAR type of approaches will be developed to predict toxicity of such species. An analysis of molecular and physical parameters effecting toxicity will be performed.

Selecting Green Nanoparticles for Environmental Remidiation and Renewable Energy Applications

Selecting Green Nanoparticles for Environmental Remidiation and Renewable Energy Applications

This project is directed by Dr. Huey-Min Hwang, Dr. Hongtao Yu, and Dr. Paul Tchounwou. The main research objectives of this project are (i) to develop a safe and efficient immobilized enzymes technology for environmental remediation and renewable energy research and (ii) to elucidate the toxicity mechanisms by using QSAR models to predict nanotoxicity on the basis of bioassays with well characterized molecular parameters.

Nanomaterial Based Surface Energy Probe (NSET) for Detection of Toxic Heavy Nano Metal Ions from Env

Nanomaterial Based Surface Energy Probe (NSET) for Detection of Toxic Heavy Nano Metal Ions from Env

The project is directed by Dr. Parersh Ray and Dr. Glake Hill. The goals of this project are (i) to develop gold nanoparticle based NSET sensor for ultrasensitive detection of toxic metal ions from environmental sample and (ii) fundamental understanding of the NSET process on nanoparticle surface.

Environment-Specific Issues in Nanoparticle Physics

Environment-Specific Issues in Nanoparticle Physics

Optical, Energy Transfer and Relaxation Processes. This project is directed by Dr. Tigran Shahbazyan and Dr. Serguei Goupalov. The project involves theoretical and computational investigations of optical, energy transfer, and carrier relaxation processes in metal and semiconductor nanoparticles in an external media, either homogeneous or comprised of individual biomolecules and biomolecule ensembles. Research activities aim at understanding of (i) effect of environment on relaxation processes in nanoparticles, and (ii) energy transfer processes and optical response of nanoparticle-molecule and metal-seconductor nanoparticle systems.

First-Principles Theoretical Description of Metal Clusters

First-Principles Theoretical Description of Metal Clusters

Toward a Model of Metal Nanoparticles. This project is directed by Dr. Ming Ju Huang and Dr. John Watts. It studies the structures and properties of metal clusters using theoretical methods. Ab initio theory is applied to gain understanding about principles of clusters’ structures and properties.