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).
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.
CASCaM Professor Wins ACS Doherty Award
Dr. Thomas Cundari, Chemistry, has been awarded the ACS Doherty Award. Dr. Cundari will be presented with his award during the September dinner/meeting of the DFW local section of the ACS. During the meeting, Dr. Cundari will give a presentation titled "Computer-aided Catalyst Design: Or, Can a Blind Squirrel Find an Acorn?".
You can find additional information about the dinner/meeting and RSVP information information here.
About the award: Each year the DFW-ACS section honors two outstanding members of the section. The Doherty Award is given for excellence in chemical research or chemistry teaching, meritorious service to ACS, establishment of a new chemical industry, solution of pollution problems, and advances in curative or preventive chemotherapy. The impact of these accomplishments may be either of local or national significance. Nominees may come from industry, academia, government, small business, etc. The nominee should be a member resident in the area served by the DFW ACS Section, and the work on which the award is based should usually have been done in this area. The honorarium for the Doherty Award is $1500 and an engraved plaque. A large photo of the Doherty Award winner will be displayed permanently in the Gallery of Doherty Award winners, Berkner Hall, Unviersity of Texas at Dallas.
CASCaM professor to be part of a multidisciplinary, multi-institutional research group awarded a U.S. Department of Defense grant
Dr. Marco Buongiorno Nardelli, Physics, is one of the primary investigators of a research group that will be studying new materials for the U.S. Department of Defense. The multidisciplinary research group consists of researchers from UNT, Duke University, Brigham Young University, Central Michigan University and University of Maryland-College Park.
You can find additional information here.
Presentations by CASCaM Professor
During the Spring 2013 semester, Dr. Wes Borden, Chemistry, gave lectures about tunneling to the organic chemists at Cambridge, Oxford and Bristol Universities and a lecture about (CO)4 and related molecules to the theoretical chemists at Cambridge University.