Nov. 18, 2019 There will be a QTP Seminar on Friday this week (Nov. 22) presented by Dr. Róbert Izsák, Max Planck Institut für Kohlenforschung, Mülheim Germany. The title of his talk is “Domain-based Pair Natural Orbitals for Excited States Using the Similarity Transformed Equation of Motion Formalism”. His abstract is posted under the QTP seminar series link at left. Coffee at 3:15pm, presentation at 3:30pm, in room NPB 2205.
Nov. 6, 2019 QTP Seminar on Friday this week (Nov. 8) will be by Prof. Alberto Perez, Molecular Recognition Group, UF Dept. of Chemistry. The title of his talk is “Computational Structural Biology 2.0: Predicting Protein Structures and Mechanisms of Action”. Coffee at 3:15pm, presentation at 3:30pm, in room NPB 2205.
Oct. 11, 2019 Congratulations to David Micha on the publication of his book Molecular Interactions: Concepts and Methods. For details, check out the Wiley flyer.
Sept. 10, 2019 The Slater Lecturer for Fall 2019 will be Prof. Jim Freericks (Georgetown Univ.) He will be here Oct. 22-24. See the Flyer for dates and titles or follow the Löwdin and Slater Lecture link at left for more information.
Aug. 30, 2019 QTP Seminars will resume for the Fall on a new day of the week: Friday. First Seminar will be Sept. 6, 2019, 3:30 pm (NPB 2205). The speaker will be Toby Zeng, who is a professor at York University in Toronto. The title of his talk is “Our recent studies in vibronic coupling: simulation of optoelectronic materials, derivation of Jahn-Teller formalism, and interpretation of vibronic spectra”.
June 19, 2019 We regret having to pass along the news that Clemens C.J. Roothaan died June 17th. He would have been 101 on Aug. 29. He was among the true pioneers of quantum chemistry and chemical physics. An example is the landmark 1951 (!!) article “New Developments in Molecular Orbital Theory” [Rev. Mod. Phys. 23, 69 (1951)]. He was the honoree at the 33rd Sanibel Symposium.
March 28, 2019 For those who may be interested in the history of QTP, the resource page has been updated with slides from Prof. N. Yngve Öhrn’s seminar in Jan. 2018. We are grateful to Yngve for letting us post those slides. See About QTP at left for all of the history resources.
Feb. 8, 2019 All of the 59th Sanibel Symposium abstracts, along with the presentation schedules, have been posted. The Symposium link is at the left.
Jan, 11, 2019 Center for Molecular Magnetic Materials (M2QM) seminar on Jan. 23. Prof. Ruqian Wu (Univ. Calif. Irvine) speaking on “Density Functional Studies of Quantum Magnets and Spintronics Materials”. Please note the special time! 2:00 pm (Wednesday Jan. 23) Room 2205, NPB.