NSF

Giannis Mpourmpakis Receives NSF CAREER Award

  • By Aude Marjolin
  • 1 March 2017

Giannis Mpourmpakis' proposal "Designing synthesizable, ligand-protected bimetallic nanoparticles and modernizing engineering curriculum through computational nanoscience " was recently selected for an NSF CAREER award. 

Although scientists can chemically synthesize metal nanoparticles (NPs) of different shapes and sizes, understanding of NP growth mechanisms affecting their final morphology and associated properties is limited. With the potential for NPs to impact fields from energy to medicine and the environment, determining with computer simulations the NP growth mechanisms and morphologies that can be synthesized in the lab is critical to advance NP application. 
Because this is a relatively new field, traditional core courses in science and engineering lack examples from the nanotechnology arena. In addition to improving the research, the award will enable Giannis Mpourmpakis and his students to modernize the traditional course of Chemical Thermodynamics by introducing animation material based on cutting-edge nanotechnology examples, and developing a nanoscale-inspired interactive computer game.

Peng Liu Receives NSF CAREER Award

  • By Aude Marjolin
  • 16 December 2016

Peng Liu has been selected to receive a National Science Foundation CAREER award based upon his proposal, entitled "Computational Studies of Transition-Metal-Catalyzed Reactions in Organic Synthesis." 

In this CAREER project funded by the Chemical Structure, Dynamic & Mechanism B Program of the Chemistry Division, Professor Peng Liu of the Department of Chemistry at the University of Pittsburgh is developing new strategies to use computational tools to investigate mechanisms and effects of ancillary ligands in transition-metal-catalyzed reactions of unactivated starting materials, such as C-C and C-H bonds, and unactivated olefins. The goal of this research is to reveal the fundamental reactivity rules of common organometallic intermediates in these transformations and to develop new models to interpret ligand effects on reactivity and selectivity. This proposal’s educational and outreach plan aims to maximize the power of computations to enhance learning of organic chemistry concepts and to facilitate synthetic organic chemistry research. Professor Liu’s team will develop virtual reality (VR) software and educational materials to visualize three-dimensional molecular structures and reaction mechanism videos in an interactive and immersive environment.