CASCaM Instituted at UNT
[ Official UNT News Story ]
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 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 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.
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.
TAMS Chemistry student becomes Regional Finalist for the 2013 Siemens Competition
William Ou, a TAMS student working with Dr. Tom Cundari, is one of only students from UNT selected as regional finalists for the 2013 Siemens Competition. In November, William will travel to UT-Austin for the regional competition. Additionally, Hans Ajieren, Benjamin Chi and Siva Manivasagam, all TAMS students working with Dr. Angela Wilson, were semifinalists in the Math/Science/Technology section of the 2013 Siemens Competition.
You can learn more about the Siemens Competition here.
Chemistry professor to teach during international workshop
Dr. Wes Borden, Distinguished University Research Professor and Robert A. Welch Chair in Chemistry, has been invited to teach during an international workshop on quantum chemistry in Hyderabad, India, in January 2014.
Chemistry professor to present seminars at University of Minnesota and UT Austin
Dr. Wes Borden, Distinguished University Research Professor and Robert A. Welch Chair in Chemistry, has been invited to present seminars at the University of Minnesota and UT Austin during the Fall 2013 semester.
New Publications: Three Publications by CASCaM Professor
Dr. Yuri Rostovtsev (Physics), and others, recently published three papers:
- Photovoltaics based on nanotubes filled with nano-particles: Generalized Mie theory approach, Journal of Modern Optics. The article can be found here.
- Abstract: Gold nanoparticles have interesting properties of nano-antennas that focus the radiation field into relatively small, much smaller than the wavelength of radiation, regions. Optical and electronic properties of nano-wires experiencing huge field enhancement can be modified due to these plasmonic interactions. We have developed a generalized Mie theory to demonstrate the effect of enhancement of the electric field near gold nanoparticles and study novel optical and electronic properties of these new structures: nanotubes filled with metal nanoparticles and nano-wires with metal nanoparticles as inclusions on their surface. In the paper, we discuss the applications of such novel nanoscale hybrid metal/semiconductor composites to sensitive sensors and efficient photovoltaics.
- Quantum Optical Mouse to detect Carioles force, Europhysics Letters. The article can be found here.
- Abstract: We describe an opto-mechanical effect that introduces an additional phase into a coherent light field. This effect is accomplished via the motion of a cavity which contains an ultradispersive medium. We have theoretically shown that this change of the phase, due to the enhanced Fizeau effect, can be used to measure displacements as small as 10-17 cm/Hz1/2. This technique can be used to detect the Coriolis Force.
- Efficient excitation of Raman coherence by a gradient force, Journal of Raman Spectroscopy. The article can be found here. This paper has also been featured on the website Spectroscopy Solutions.
- Abstract: The vibrational molecular excitation by strong laser fields have been studied. Starting with the molecular Hamiltonian, we derive the vibrational excitation rate due to a gradient of laser field and show that the rate can be two to three orders of magnitude larger than the regular Raman rates. The developed theory contributes to understanding of interaction of powerful laser pulses with molecular systems, and it might be used in developing quantitative coherent Raman spectroscopy.
CASCaM Professors Win UNT Faculty Excellence Awards
Two CASCaM professors will be honored during the UNT Salute to Faculty Excellence Awards Dinner and Ceremony on Friday, September 27, 2013. Dr. Angela Wilson, Chemistry, received the UNT Foundation Faculty Leadership Award and the 2013-2015 Decker Scholar Award, Dr. Thomas Cundari, Chemistry, received the UNT Research Leadership Award.
More information about the awards dinner and ceremony, as well as the 2013 Salute to Faculty Excellence schedule, can be found here.