The University of North Texas is the home of the Center for Advanced Scientific Computing and Modeling (CASCaM), whose central mission involves research, education, training and outreach in all facets of advanced scientific computing and modeling. The CASCaM facility, supported by the United States Department of Education, the United States Department of Energy, and the United States Air Force Research Laboratory, affords excellent opportunities for collaboration with UNT computational chemists for students and faculty mentors in Texas and the surrounding states. You can download the official brochure here (PDF format). A longer presentation of the CASCaM research, resources, and faculty can be downloaded here (PDF format).
Search underway for two new positions in CASCaM
- Open level position in Computational Chemistry (PDF format).
- Senior level position in Multiscale Modeling (PDF format).
Dr. Wilson Awarded UNT Teacher Scholar Award
Congratulations to Dr. Angela Wilson on being the first recipient of the new UNT Teacher Scholar Award. The University honored Dr. Wilson with this award at the Research Awards Presentation, held in the Golden Eagle Suite.
Dr. Wilson on Editorial Board of JPC
Dr. Angela Wilson has been named to the Editorial Advisory Board of the Journal of Physical Chemistry (JPC). JPC is the top journal within the subdiscipline of phsyical chemistry, which includes computational chemistry. Her term will begin in January 2010.
Guest Speaker: Dr. Matthias Bickelhaupt
Dr. Matthias Bickelhaupt, professor at the Department of Theoretical Chemistry at Vrije University of Amsterdam, will be visiting CASCaM from November 2 until November 4. He will present a seminar entitled "Predictive Catalysis Based on the Activation Strain Model" at the Chemistry Building on November 3.
CASCaM Faculty Available for Seminars
The CASCaM Faculty are available to give seminars on topics related to their field. You can find a list here of interesting faculty topics or contact the professor directly.
List of Professors and Seminar Topics
New Publication from CASCaM
CASCaM Faculty Members Dr. Cundari and Dr. Wilson recently published an article in the Journal of Chemical Information and Modeling (JCIM) entitled:
CO2-Formatics: How do Proteins Bind Carbon
Dioxide?
An excerpt from the abstract:
"The rising atmospheric concentration of CO2 has motivated researchers to seek routes for improved utilization, increased mitigation, and enhanced dequestration of this greenhouse gas. Through a combination of bioinformatics, molecular modeling, and first-principles quantum mechanics are the binding of carbon dioxide to proteins is analyzed. "
An excerpt from the abstract:
"The rising atmospheric concentration of CO2 has motivated researchers to seek routes for improved utilization, increased mitigation, and enhanced dequestration of this greenhouse gas. Through a combination of bioinformatics, molecular modeling, and first-principles quantum mechanics are the binding of carbon dioxide to proteins is analyzed. "
Dr. Weston Borden awarded ACS Fellow
Dr. Borden, Welch Chair of Chemistry at the University of North Texas and CASCaM Faculty, is one of the few chosen among ACS members as a part of the inaugural class of ACS Fellows. ACS Fellows are "honored for excellence in chemistry, service to society."
More information can be found here.
UNT published an article about it here.
CASCaM and MMRC Researchers to Work With Energy Frontier Research Center
CASCaM and MMRC researchers, Profs. Tom Cundari, Jincheng Du and Srinivasan Srivilliputhur, will participate in one of the 46 funded Energy Frontier Research Centers (EFRCs). The project is lead by long-time Cundari Group collaborator, Prof. T. Brent Gunnoe (Chemistry, U. Va.). UNT team will work with leading researchers from Virginia, Yale, Princeton, CalTech, UNC-Chapel Hill, and several others to identify novel catalysts for meeting the U.S.'s energy needs. The UNT team along with groups at U. of Maryland and CalTech will provide the lead in modeling and simulation research within this EFRC, entitled "Center for Catalytic Hydrocarbon Functionalization."