The Center develops new approaches to enhance knowledge related to nanomaterials, their practical applications and environmental effects and implement an integrated education and research program in the area of nanotoxicity. It is anticipated that the implementation of the above-stated studies would provide new insights into the mechanisms of the toxic action of nanomaterials, as well as relevant scientific information for making informed decisions regarding the cost-effective management of nanomaterials. It will also provide an excellent opportunity to train undergraduate and graduate students in the emerging area of nanotoxicology.
Chang, Peter P.
Role: Associate Professor of Geoscience
Role: Assistant Professor
Access to lab resources for computational studies on molecules and molecular systems.
"CHEMPREDICT/CORAL (CORrelation And Logic) is a freeware software developed by the Center for Applied Computational Sciences in collaboration with Istituto di Ricerche Farmacologiche Mario Negri – Italy. It is a tool to build quantitative structure – property/activity relationships (QSPR/QSAR)."
"Molecular Modeling and Simulation Kit (MaSK) is the software that is useful in the visualization of various molecular properties calculated by either GAMESS or Gaussian® computational chemistry programs."
"NVSCC is a molecular graphics program designed for the visualization of molecular systems. NVSCC accepts the output files from the most popular ab initio quantum chemical programs GAUSSIAN and GAMESS and performes geometrical reconstructions of molecular structures based on atomic coordinates."