Rosana Zenil-Ferguson, Jose M. Ponciano, J. Gordon Burleigh. Testing the association of phenotypes with polyploiddy: An example using herbaceous and woody eudicots Evolution Journal, 2017-03-29 Abstract: Although numerous studies have surveyed the frequency with which different plant characters are associated… Read More
2017 Supercomputer Rankings: HiPerGator #3 Among U.S. Public Universities
The TOP500 is the most referenced global ranking of high performance computing systems. Each June and November, their organization compiles a list of the 500 most powerful computer systems in the world. In the June 2017 rankings, UF’s HiPerGator earned… Read More
Students Building F1 Racecar
It requires 25-30 hours per week, in addition to their heavy academic load. Besides the engineering component and representing UF at national competitions, they must also go outside their comfort zone and solicit corporate sponsorships. What is it? Being a… Read More
Removing Technical Barriers for Research
UF Research Computing may be home to HiPerGator, but its staff do much more than manage the university’s supercomputer. The department was recently contacted by Amanda Edgell, a Ph.D. candidate in Comparative Politics in the Department of Political Science. Edgell… Read More
Studying Ways to Delay or Prevent Dementia
Assistant Professor Adam Woods cites a sobering statistic: “By 2050, the U.S. population over the age of 65 will double. We’re simply not set up as a society to treat an exponential growth of dementia patients. Economically, our healthcare system… Read More
Increasing the applicability of density functional theory. V. X-ray absorption spectra with ionization potential corrected exchange and correlation potentials
Prakash Verma and Rodney J Bartlett. fIncreasing the applicability of density functional theory. V. X-ray absorption spectra with ionization potential corrected exchange and correlation potentials J. Chem. Phys. 145, 034108 (2016), 2016-07-20 Abstract: Core excitation energies are computed with time-dependent… Read More
Importance of finite-temperature exchange correlation for warm dense matter calculations
Valentin V. Karasiev,* L´azaro Calder´ın, and S. B. Trickey. Importance of finite-temperature exchange correlation for warm dense matter calculations PHYSICAL REVIEW E 93, 063207 (2016), 2016-06-23 Abstract: The effects of an explicit temperature dependence in the exchange correlation (XC) free-energy… Read More
Frank Discussion of the Status of Ground-State Orbital-Free DFT
Valentin V. Karasiev, Samuel B. Trickey. Frank Discussion of the Status of Ground-State Orbital-Free DFT Advances in Quantum Chemistry, vol. 71, pp. 221–245 (2015), 2015-06-17 Abstract: F.E. Harris has been a significant partner in our work on orbital-free density functional… Read More
Photoconductivities from band states and a dissipative electron dynamics: Si(111) without and with adsorbed Ag clusters
T. Vazhappilly, R. H. Hembree, and D. A. Micha. Photoconductivities from band states and a dissipative electron dynamics: Si(111) without and with adsorbed Ag clusters J. Chem. Phys. vol. 144, p. 024107-1 (2016), 2016-01-11 Abstract: A new general computational procedure is… Read More
Improved analytical representation of combinations of Fermi–Dirac integrals for finite-temperature density functional calculations
Valentin V. Karasiev ∗, Debajit Chakraborty, S.B. Trickey. Improved analytical representation of combinations of Fermi–Dirac integrals for finite-temperature density functional calculations Computer Physics Communications 192 (2015) 114–123, 2015-03-09 Abstract: Smooth, highly accurate analytical representations of Fermi–Dirac (FD) integral combinations important… Read More