Molecular Modeling in Environmental Chemistry
James D. Kubicki | The Pennsylvania State University
The connection between large scale environmental processes and molecular properties is critical to understanding and managing contaminants, but the complexity of natural systems makes it difficult to scale scientific research over orders of magnitude in the spatial and temporal domains. Collaboration among scientists working at different scales is key to identifying information that can be transferred across the various levels of natural processes. This talk will focus on studies in computational chemistry that have been designed to address questions generated by field and laboratory observations. Myriad techniques exist to simulate environmental chemistry. Verifying the accuracy of these simulations against experimental observables helps to build confidence in the model results and utilize the molecular-scale results to the real world. Two examples of this approach are the adsorption behaviors of phosphorous and polycyclic aromatic hydrocarbons (PAHs).

Professor James Kubicki received his PhD from Yale University in 1989. Currently, he is Professor at the Department of Geosciences, Pennsylvania State University, affiliated with the Earth & Environmental Systems Institute. Dr. Kubicki is a receipient of many awards, among which are the National Research Council Associate Award, Schlumberger Fellowship, and Ford Prize. His research interests include molecular modeling, spectroscopy, reaction mechanisms, and contaminant chemistry.

This event is organized jointly by the MS2Discovery Institute and the Laurier Department of Chemistry and Biochemistry in collaboration with the Laurier Institute for Water Science and the Ecohydrology Group at the University of Waterloo.
Contact at the MS2Discovery Research Institute:
Hind Al-Abadleh
(Host of the Speaker,
Tectons T1 and T5,
Financial support for this seminar from the Faculty of Science Students Association (FOSSA) is acknowledged.
Refreshments will be provided
Monday, January 19, 2015
1:30pm | Location: BA210
The MS2Discovery Seminar Series:
Wilfrid Laurier University, 75 University Avenue West, Waterloo
This event is hosted by the MS2Discovery Interdisciplinary Research Institute | Waterloo