CoMET News

DFT CAFE WEBSITE

A group of students meeting over coffee has started they DFT Cafe website, where a collection of information, tutorials, and educational materials on density functional theory (DFT) can be found: http://sites.psu.edu/dftcafe/

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News

Maybe something interesting to check: a recent post from marcelswart on Psi-k Network regarding Annual DFT Popularity Poll 2018: http://psi-k.net/general-announcements/annual-dft-popularity-poll-2018-is-open/

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Published papers

Following papers have been published by CoMET trainees:   • K. A. Fichthorn, T. Balankura, and X. Qi, “Multi-Scale Theory and Simulation of Shape-Selective Nanocrystal Growth”, CrystEngComm 18, 5410-5417 (2016). o DOI: 10.1039/C6CE01012A • Liu, Shih-Hsien, Tonnam...

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Published Paper

A paper by Dr. Roghayyeh Lotfi, ASM Jonayat, Dr. Adri C. T. van Duin, Dr. Mousumi M. Biswas, and Dr. Robert Hempstead has been published in J. Phys. Chem. C, 2016, 120 (48), pp 27443–27451.

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Published Paper

A paper by Tonnam Balankura, Xin Qi, Ya Zhou and Dr. Kristen A. Fichthorn has been published in J. Chem. Phys.,  2016, 145, 144106.

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Published Paper

A paper by Joel Bombile, Dr. Scott Milner and Dr. Michael Janik has been published in Phys. Chem. Chem. Phys., 2016, 18, 12521-12533.

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News

Cassie Marker was awarded the Coppola Graduate Student Excellence Award for Student Service and Leadership and 2016 Materials Science and Engineering Safety Award.  She was also selected to receive the U.S. Department of Energy Office of Science Graduate Student...

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News

CoMET trainee Tonnam Balankura receives Second Place Paper Award for his excellent Paper Presentation in the "Simulation and Mathematical Modelling" category  at the 13th Annual College of Engineering Research Symposium on April 5, 2016.  This symposium is organized...

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