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Center for Advanced Scientific Computing and Modeling
Department of Chemistry
University of North Texas
1155 Union Circle #305070
Denton, Texas 76203-5017

Phone: (940) 565-4372
Fax: (940) 565-4318

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CASCaM Instituted at UNT   [ Official UNT News Story ]The chemistry building at the University of North Texas.
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).

Chemistry professor to have session devoted to his research at the 2016 Reaction Mechanisms Conference
Professor Wes Borden has been notified that he and Professor Matt Platz will be honored at the 2016 Reaction Mechanisms Conference by having a session devoted to them and to their research. The five chemists who have been thus honored at previous Reaction Mechanisms Conference are Professors William von Eggers Doering, Kenneth Wiberg, Jerome Berson, Andrew Streitwieser, and Robert Bergman. Professors Borden and Platz are both recent winners of the ACS’s James Flack Norris Award in Physical Organic Chemistry; and the five honorees at previous Mechanisms Conference have also won the Norris Award.

Materials Science and Engineering graduate student Jessica Rimsza won 1st prize at international conference
Jessica Rimsza, a graduate student in the Materials Science and Engineering Department, won the first prize in the student poster contest at the 1st Joint Meeting of DGG — ACerS GOMD, a US-Germany joint conference on glass and optical materials held in Aachen Germany in May 2014. Jessica works with Dr. Jincheng Du, Materials Science and Engineering, toward her doctorate degree. She presented findings on water/nanoporous silica interactions from ab initio Molecular Dynamics Simulations. Jessica was selected to win the first prize from among a large number of poster presentations and the award was presented by the President of Germany Glass Society and the Chair of the American Ceramic Society Glass and Optical Materials Division during the conference banquet.

     Jessica Rimsza in the award ceremony
     Jessica Rimsza and Prof. Jincheng Du in front of Jessica's poster

More information about the conference can be found here.

Physics professor receives University Distinguished Research Professor nomination
Dr. Marco Buongiorno Nardelli, Physics, has been nominated as a 2014 Distinguished Research Professor. According to the UNT Faculty Success website, "the purpose of this award is to recognize tenured faculty at the rank of professor who have achieved a truly exceptional record of creative activities or research productivity and who demonstrate a record of continued extraordinary productivity."

More information about the award can be found here.

Chemistry professor co-edits Journal of Electron Spectroscopy and Related Phenomena
Dr. Paul Bagus, Chemistry, co-edited Volume 194 of the Journal of Electron Spectroscopy and Related Phenomena. Dr. Bagus' co-editors were Richard L. Martin (Los Alamos National Laboratory) and James G. Tobin (Lawrence Livermore National Laboratory).

You can view the cover art here and access the volume here.

Chemistry professor to present several invited lectures during Summer 2014
Dr. Wes Borden, Chemistry, will present lectures at the International Conference on Hydrogen Transfer (iCHAT) in Rome, Italy, in June 2014, at Pacific Northwest National Labs (PNNL) in July 2014 and at the International Conference on Physical-Organic Chemistry (IPCOC) in Ottawa, Canada in August 2014.

CASCaM Professors organize annual workshop
Drs. Marco Buongiorno Nardelli (Physics) and Jincheng Du (Materials Science & Engineering) are organizing the 26th Annual Workshop on Recent Developments in Electronic Structure Theory in May 2014. The workshop “brings together active participants in electronic structure theory from universities, colleges, institutes and laboratories around the world.”

Additional information can be found here.

Chemistry professor presented 2 talks in Japan
Dr. Wes Borden, Chemistry, gave an invited lecture at the Fukui Institute for Fundamental Chemistry in Kyoto, Japan, in March 2014. Dr. Borden also gave an invited talk at the International Symposium on Reactive Intermediates and Interesting Molecules in Hiroshima, Japan.

CASCaM professor awarded DOE grant to study corrosion in glasses
Dr. Jincheng Du, Materials Science and Engineering, has been awarded a Department of Energy (DOE) grant to study the corrosion and chemical durability of glasses through the Nuclear Energy University Program (NEUP). Corrosion of glasses is prevalent and critical in a number of technological and engineering applications including long term nuclear waste disposals and their geological storage. The study will generate reliable structural information and mechanistic understanding that can lead to predictive assessment of glasses for long term geological storage. Dr. Du will collaborate with Drs. Joe Ryan and Sebastien Kerisit, Pacific Northwest National Laboratory, and Dr. Louis Criscenti, Sandia National Laboratories, on this project. Earlier in January 2014, Dr. Du hosted a DOE workshop on UNT campus with participants from five national laboratories and three universities to discuss the current status and challenges in the study of corrosion in glasses.

CASCaM Professor presents at international workshop
Dr. Wes Borden, Chemistry, travelled to Hyderabad, India, in January 2014 to present three lectures at a multi-week international workshop on “Modeling Chemical and Biological Reactivity”.

CASCaM Professor honored as special editor of journal issue
Dr. Paul Bagus, Chemistry, along with 2 others, were the Special Editors the August 2013 (Volume 56, Issue 12) issue of the journal TOPICS in CATALYSIS: Progress in Electronic and Vibrational Spectroscopy of Catalytic Materials and Catalytic Reactions: Theoretical and Experimental Studies.

You can view the issue here.

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