Dec. 18, 2017 Sanibel Symposium registration and program information are accessible from the link at left.
Oct. 10, 2017 We are proud to announce that Prof. Hai-Ping Cheng has received one of the NSF grants for “Collaborative Research: LSC Center for Coatings Research”. “LSC” is the LIGO Scientific Collaboration, the umbrella organization for specialized science and technology input to LIGO, the gravitational wave detection project. The Coatings Research Center is part of the NSF Big Idea initiative ($2 million, 3 year total) and is co-funded by the Moore Foundation ($1,050,000, 3 year total). The Big Idea is Multi-Messenger Astrophysics. The LSC Coatings center comprises 10 institutes, each funded distinctly. The PI is Martin Fejer at Stanford; Prof. Cheng is a co-PI.
May 15, 2017 Special QTP seminar this week: Prof. Paul Johnson (Université Laval; Quebec City Canada), speaking on “Model Wavefunctions for Strongly-Correlated Systems”. Lecture begins at 3:30 pm with coffee at 3:15 pm. Room 2205, NPB.
March 30, 2017 The 2017 Löwdin lecturer will be Prof. Dr. Frank Neese, Director of the Max Planck Institute for Chemical Energy Conversion, Mülheim an der Ruhr, Germany. His lectures will be April 6 (Thursday) at 1:00 pm, NPB 2205, and April 7 (Friday) at 2:00 pm, NPB 2205. Titles and further details here.
Feb. 13, 2017; updated April 3: QTP seminar is back! Wednesdays, 4pm, NPB 2205. The schedule for the rest of the semester is –
Feb. 15: Shuanglong Liu, “Quantum Transport Properties of Moleculdar Junctions: Effect of Bias and Gate Voltages”
Feb. 22, Mar. 1, Mar. 8, Mar. 15: Sanibel – Spring break – APS March meeting
Mar. 22: Valentin Karasiev, “Development and Application of Non-interacting (orbital-free) and Exchange-correlation Free-energy Functionals”
Mar. 29: James Fry, “Large Scale Structure in the Halo Model”
April 5: No seminar; Löwdin lectures Thursday and Friday this week
April 12: Jun Jiang, “Inelastic Multiphonon Scattering processes in Semiconductors from First Principles”
April 26: John Stanton, “Why Thermochemimstry is not as Boring as You Think”
Jan. 10, 2017: Please join us in welcoming John Stanton to QTP. He is the new Keenan Professor of Chemistry but not a newcomer to QTP. He was a post-doc here in 1986-1988.
Jan. 4, 2017: Congratulate Prof. Hai-Ping Cheng! She has been elected a member-at-large of the Executive Committee of the Division of Computational Physics, American Physical Society. Her term is three years.
Dec. 9, 2016: We are pleased to announce that Prof. Sam Trickey has been named a Corresponding Member of the Mexican Academy of Sciences (Academia Mexicana de Ciencias).
Nov. 30, 2016: Prof. David Micha is a participant in a new Spanish national project led by Dr. P. de Lara-Castells (Principal Investigator as well as a former QTP member) along with other researchers at the CSIC , Madrid, Spain. It involves the theoretical treatment and modelling of molecular photodesorption from metallic nanoparticles/nanowires. The project is entitled “Multi-Scale ab-initio-assisted Modelling of Quantum Fluids and Molecular Processes at the Nanoscale”.
Oct. 3, 2016: Welcome to Ms. Galyna Vakulenko, who joins QTP as Administrative Support Assistant. Her primary responsibility will be Sanibel Symposium administrative and operational activities. She has extensive previous experience with organizing of the Florida Heterocyclic and Synthetic Conference.
May 27, 2016: David A. Micha, who received his Doctor of Science degree from Uppsala University (Sweden), was promoted again, this time as Jubilee Doctor (Jubeldoktor) at the Doktors Promotionen of his Alma Mater, in the area of mathematical and natural sciences.
May 4, 2016: Congratulations to Jonathan Trinastic, recent Ph.D. recipient with Prof. Hai-Ping Cheng, on being awarded both the AAAS Science and Technology Policy Fellowship and Presidential Management Fellowship. Both fellowships provide a path for scientists to cultivate a career at the intersection of science and policy. Jonathan has accepted the AAAS Fellowship and will work in the Solar Energy Technologies Office within the Department of Energy beginning this fall.
April 3, 2016: According to www.webometrics.info, QTP’s Prof. Rod Bartlett is one of only 1360 scholars internationally with an h-index above 100!
Aug. 3, 2015: Prof. Susan Sinnott has gone to Penn State Univ. as Professor and Head of the Dept. of Materials Science and Engineering. We wish her well in this new endeavor.
29 May 2015: Please welcome two new members to QTP: Profs. Richard Hennig (Materials Science and Engineering) and Beverly Sanders (Computer and Information Sciences and Engineering). Both were elected unanimously by the QTP faculty.
11 Feb. 2015: Profs. Rod Bartlett and Hai-Ping Cheng have been elected QTP Director and Assoc. Director respectively for the 2015-2017 term. Wish them well!
On December 12-14, 2014 a Workshop in honor of Frank E. Harris, entitled “Concepts of Mathematical Physics in Chemistry”, was held at the Iberostar Quetzal hotel in Playa del Carmen, Mexico. Approximately 100 scientists from over a dozen countries were in attendance. The Proceedings of the Workshop are to be published as a volume in the series Advances in Quantum Chemistry.
21 Nov. 2014: Prof. Roitberg has resigned from QTP, but continues in Chemistry.
05 Aug. 2014: QTP is pleased to announce the arrival of our newest faculty member, Prof. of Physics Xiaoguang Zhang. He comes to UF from Oak Ridge National Laboratory and is part of the new Informatics Institute. Among other notable achievements, he was co-winner of the Gordon Bell Prize in 1998.
23 May 2014: “Mathematics for Physical Science and Engineering” by Frank Harris was released by Academic Press. It emphasizes symbolic computation using Maple and Mathematica.
Contribution to the science/profession: Recognized as a leader in advancing molecular modeling techniques for biomolecules. Served as a Senior Editor of the Journal of Physical Chemistry for four years. Contribution to the ACS community: Served the Computers in Chemistry Division in various roles. Involved in ACS activities to foster mentoring of underrepresented minority students.
The minister of Science, Technology and Productive Innovation, Dr. Lino Bara�ao, presented the award to Dr. Roitberg. The Raices prize (Roots in Spanish) is given to Distinguished Argentinian scientists living abroad that have collaborated with local scientists and promoted extend links and strengthened the scientific and technological capabilities of the country.
Sandbjerg Estate, Denmark, July 9 ? 11, 2010.
In the picture (l-r): Prof. Mike Ashfold (Pres of Faraday Council), Prof. David Manolopoulos (Chemical Dynamics Award), Rod, Prof. Gerard Meijer (Bourke Award), Prof. Andrew Orr-Ewing (Tilden Prize)
Victor Albert’s submission Roads of Graphene received Honorable Mention in the Elegance of Science Art Contest.The artwork, along with the other winning pieces, was presented at the 
So Hirata recieves NSF CAREER award
Professor Rodney J. Bartlett, Graduate Research Professor of Chemistry and Physics, Quantum Theory Project, has been selected as the recipient of the ACS Award in Theoretical Chemistry in 2007 sponsored by IBM Corporation.
Bryan Opt’Holt had his PhD defense on Thursday, Sept. 21 on “Computation Studies of the Structure and Function of Metalloenzymes and the Performance of Density Functional Methods.”
Alex Pacheco had his PhD defense on “First Principles Dynamics of Transient Ligh Absorption and Emission of Alkali Atoms Interacting with Rare Gas Atoms.”
Dr. Adrian Roitberg was awarded a Fulbright Fellowship to spend 3 months in Argentina. He will be collaborating with a group at the University of Buenos Aires on the study of enzymes related to Chagas’ disease, a neglected endemic disease affecting 18 million people in South and Central America. He will also teach a course on molecular modeling in biomolecules and visit a number of other universities to present his research.
So Hirata and Adrian Roitberg have been named, along with 33 other young scientists, to “represent the voice of a new generation of theoretical chemists,” according to Christopher J. Cramer, Editor and Donald G. Truhlar, Chief Advisory Editor of Theoretical Chemistry Accounts. Nominations were gathered from 31 senior leaders in the field and the nominees were invited to participate in “a special issue of Theoretical Chemistry Accounts …entitled “New Perspectives in Theoretical Chemistry”.
Dr. Erik Deumens has been appointed as the first Director of the High Performance Computing Center (HPCC). Erik will also continue to be the Director for Computing for the Quantum Theory Project (QTP) where he is responsible for operating the computing environment at QTP. Since 1994, he has been involved in the development of a high performance, portable, parallel software library for quantum chemical integrals, called QTIP as testing ground for research and teaching of high quality software engineering. He also lectures on High Performance Computing Topics covering all issues involved in programming for scientific computing: including architecture of modern CPU’s and parallel computers, object oriented design, correct programming, debugging and performance analysis, message passing programming, and thread programming. Erik received his Ph.D. in Physics in 1982 and his DSc in 1984 from the University of Brussels. Erik holds a Scientist faculty line in the departments of Chemistry and Physics and has been at the University of Florida since 1990.
QTP Faculty Members elected as APS Fellow.Each new fellow is elected after careful and competitive review and recommendation by a fellowship committee on the unit level, additional review by the APS Fellowship Committee and final approval by the full APS Council. Only 0.5% of the total APS membership is selected for Fellowship in the Society each year.Hai-Ping Cheng (APS Division of Computational Physics) For insights from pioneer nanoscale simulations, notably on cluster phase transitions, surface melting, and nanocrystal-surface interactions, especially the interplay between structure and dynamics and between structure and conductance. Members of QTP that are APS Fellows
We are approaching the end of an important year in the life of QTP. We have a new faculty member, Kennie Merz, who joined us as Professor this Fall. In other faculty maters, Hai-Ping Cheng was promoted to Professor, and Sam Trickey retired and became Professor Emeritus (not to worry, Sam remains active in his research!). This fall we had a fine symposium celebrating Sam’s scientific accomplishments. The 2006 Sanibel Symposium will once again be on the beach, on St. Simons Island. The 3rd Löwdin Lectures were held this spring, with Mark Ratner as speaker.
Sanibel Participants and/or Former QTPers Displaced by Katrina
Mr. Igor Schweigert, is winner of a Dow Research Award. These awards are made annually to recognize excellence in research among our upper level graduate students. As a 2005 recipient, Igor will receive a check for $500 and have his name placed on a departmental plaque.
UF professor Frank Harris has been named a fellow of the American Physical Society. Harris was elected for his original research and innovative contributions in the application of physics to science and technology.Frank Harris is a member of UF’s Quantum Theory Project, a group of researchers based in the chemistry and physics departments. He was honored for his contributions over a 50-year period for developing methods of electronic structure computation for atoms, molecules and solids. Harris came to UF as an Adjunct Professor of Chemistry in 1998 after teaching chemistry and physics at the University of Utah for 35 years.Seven of the twelve Quantum Theory Project faculty are fellows. No more than one half of one percent of the society’s total membership is selected for fellowship status each year.The American Physical Society was founded in 1899 when 36 physicists gathered at Columbia University and proclaimed the mission of the new society to advance and diffuse the knowledge of physics. The fellowship program was created to recognize members who may have made advances in knowledge through original research and publication.