by Malgorzata Kowalik | Jun 15, 2018 | Uncategorized
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/
by Malgorzata Kowalik | Jun 1, 2018 | Uncategorized
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/
by rul12 | Mar 18, 2017 | Uncategorized
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...
by rul12 | Dec 12, 2016 | Uncategorized
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.
by rul12 | Nov 9, 2016 | Uncategorized
A paper by Tonnam Balankura, Xin Qi, Ya Zhou and Dr. Kristen A. Fichthorn has been published in J. Chem. Phys., 2016, 145, 144106.
by rul12 | Nov 4, 2016 | Uncategorized
A paper by Joel Bombile, Dr. Scott Milner and Dr. Michael Janik has been published in Phys. Chem. Chem. Phys., 2016, 18, 12521-12533.
