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Contact Information

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).

Former Post-Doc joins SiGNa Chemistry
Dr. Sarina Bellows, former Post-Doc working with Dr. Cundari, has joined the research staff at SiGNa Chemistry in Rochester, NY, as a research chemist and a lab manager.

According to the SiGNa Chemistry website, “SiGNa transforms pure alkali metals into safe, easy-to-use materials for energy recovery and industrial chemical applications. Usable in batch or continuous processes, these materials improve production yield, lower raw material consumption, reduce operating costs and improve safety. Our simple, sustainable technology has opened the door to a new generation of chemical innovation. It’s smart science that leads to big results.”

You can learn more about SiGNa Chemistry here.

New Chemistry Professor Joins CASCaM
Dr. G. Andres Cisneros, a new Chemistry professor, has joined CASCaM. Focusing mostly on the computational study of biochemical systems, the two main research directions in our lab are: the investigation of enzymatic reaction mechanisms using MD and hybrid ab initio QM/MM methods, and the development of a new polarizable force field based on molecular electron density and it's application to QM/MM calculations.

You can view his webpage here.

New Publication: Coherence-Driven Topological Transition in Quantum Metamaterials
Dr. Yuri Rostovtsev, Physics, and his graduate students, has published their work on quantum metamaterials in Physical Review Letters in May 2016.

Abstract: We introduce and theoretically demonstrate a quantum metamaterial made of dense ultracold neutral atoms loaded into an inherently defect-free artificial crystal of light, immune to well-known critical challenges inevitable in conventional solid-state platforms. We demonstrate an all-optical control, on ultrafast time scales, over the photonic topological transition of the isofrequency contour from an open to closed topology at the same frequency. This atomic lattice quantum metamaterial enables a dynamic manipulation of the decay rate branching ratio of a probe quantum emitter by more than an order of magnitude. Our proposal may lead to practically lossless, tunable, and topologically reconfigurable quantum metamaterials, for single or few-photon-level applications as varied as quantum sensing, quantum information processing, and quantum simulations using metamaterials.

You can view the publication here.

International Conference on Theoretical Chemistry and Modeling (ICTCM’2017)
From Website: “You are welcome to Kenitra city, Morocco, for the exciting event of the International Conference on Theoretical chemistry and modeling , in March 16-17, 2017. ICTCM'2017 will provide an international forum for reporting the recent developments in Advanced theoretical chemistry and modeling of materials and applications.The session will contain keynote and tutorial sessions covering molecular and solids chemistry.”

You can find out more about the conference can be found here.

Former Chemistry TAMS student received a NSF Graduate Research Fellowship and a Hertz Foundation Fellowship
Kurtis Carsch, a former TAMS student working with Dr. Tom Cundari, has received both a National Science Foundation Graduate Research Fellowship (NSF GRF) and a Fannie & John Hertz Fellowship (Hertz Fellowship), financing his graduate studies in inorganic chemistry for the subsequent five years. The NSF GRF, awarded to 2000 students, funds three years of scientific research with emphasis on broader impacts. The Hertz Fellowship, awarded to 12 students, funds five years of scientific research with emphasis on independence and innovation.

You can learn more about the NSF Graduate Research Fellowship here.

You can learn more about the Hertz Foundation Fellowship here.

You can view the list of new fellowships (including Mr. Carsch) here.

CASCaM Professor Wins 2016 AVS Gaede-Langmuir Award
Dr. Paul Bagus, Chemistry, has been awarded the 2016 Gaede-Langmuir Award of the American Vacuum Society (AVS), one of two major AVS awards. The award, which is presented every two years, was created to recognize "to recognize and encourage outstanding discoveries and inventions in the sciences and technologies of interest to AVS."

You can find additional information about the award, along with a list of previous recipients, here.

Chemistry student receives UNT Scholarship
Quan Jiang, a graduate student in tthe Chemistry Department, was the single recipient of the John A. Altermann and Katherine M. Bradford Scholarship from the UNT College of Arts and Sciences. The Altermann/Bradford scholarship is provided to graduate student in Science and Mathematics at UNT.

More information about the award can be found here.

Chemistry professor to be honored at conference and presents talks
Dr. Wes Borden, Chemistry, will be honored at the Reaction Mechanisms Conference (St. Louis, MO, June 2016) with a session devoted to him and his research. In July 2016, Dr. Borden will attend and give an invited lecture at the Radicals in the Rockies meeting in Telluride, Colorado.

Chemistry professor presented talk in Japan
Dr. Wes Borden, Chemistry, gave an invited lecture at Hiroshima University in Hiroshima, Japan, on November 30, 2015, titled "Tunneling by Carbon in Organic Reactions Calculations Tell Experimentalists Where to Look and What to Look For".

CASCaM spotlighted at Materials Research Society (MRS) Fall Meeting
CASCaM was spotlighted at the 2015 MRS Fall Meeting in Boston, MA, November 29-December 4, 2015. CASCaM and MRS produced a short, 5-minute, film about CASCaM and its research, which was aired at various locations during the meeting and online.

You can view the film here.

CASCaM professor interviewed by the Chronicle of Higher Education
Dr. Angela Wilson, Chemistry, was recently interviewed by the Chronicle of Higher Education, which appeared in the November issue of the journal. The interview touched on many areas, including her research.

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