| 2:00 - 11:00 pm |
Register and check into residence hall
(Robert Purcell Multipurpose room (2nd floor) -- after hours on call number is 607-255-2288) |
| 6:30 - 9:00 pm |
RECEPTION
(Robert Purcell Multipurpose Room -- 2nd floor) |
| 7:00 - 8:30 am |
BREAKFAST SERVED (Marketplace Eatery, Robert Purcell, dorm-resident only) |
| SCIENTIFIC PROGRAM
(200 Baker Hall) |
|
| Session Chair: John Wilkins |
|
| 9:00 - 9:35 am |
David Pettifor, Oxford University Analytic bond-order potentials for modeling the growth of semiconductor films (abstract)(talk) |
| 9:35 - 10:10 am |
Karsten Jacobsen, Technical University, Lyngby, Denmark Bayesian Error Estimation in Density Functional Theory(abstract) (talk) |
| 10:10 - 10:30 am |
COFFEE BREAK |
| Session Chair: David Vanderbilt |
|
| 10:30 - 11:05 am |
Richard Martin, University of Illinois, Urbana-Champaign Insulators, metals, and fractionalized states - Berry's phases and the Luttinger theorem : a unification of other people's work (abstract) (talk) |
| 11:05 - 11:40 am |
Timo Thonhauser, Rutgers University Orbital Magnetization in Periodic Systems |
| 11:40 - 12:15 pm |
Qian Niu, The University of Texas at Austin Berry phase and the anomalous Hall effect (abstract) (talk) |
| 12:30 - 1:15 pm |
LUNCH SERVED (700 Clark Hall) |
| Session Chair: Jim Gubernatis |
|
| 1:30 - 2:05 pm |
Steve Erwin, Naval Research Laboratory Tailoring ferromagnetic semiconductors |
| 2:05 - 2:40 pm |
Steve White, UC Irvine Density Matrix Renormalization Group methods for quantum chemistry |
| 2:40 - 4:20 pm |
POSTER SESSION I (701 Clark Hall) |
| Session Chair: Andrew Rappe |
|
| 4:20 - 4:55 pm |
Stefano Baroni, SISSA, Trieste Time-dependent density functional perturbation theory |
| 4:55 - 5:30 pm |
Emily Carter, University of Princeton Reduced Scaling Electronic Structure Methods for Molecules and Materials (abstract)(talk) |
| 5:30 - 6:05 pm |
Takeshi Yanai,
Oak Ridge National Laboratory Multiresolution quantum chemistry in multiwavelet bases |
| 7:00 - 8:30 am |
BREAKFAST SERVED (Robert Purcell Union dorm-residents only) |
| SCIENTIFIC PROGRAM
(200 Baker Hall) |
|
| Session Chair: Mei-Yin Chou |
|
| 9:00 - 9:35 am |
Jim Chelikowsky, University of Texas at Austin Magnetic Doping of Quantum Dots |
| 9:35 - 10:10 am |
Matteo Cococcioni, MIT Nanoparticles under pressure |
| 10:10 - 10:30 am |
COFFEE BREAK |
| Session Chair: Natalie Holzwarth |
|
| 10:30 - 11:05 am |
Harold Baranger, Duke University Transport through Single Molecules: Resonant transmission, rectification, spin filtering, and tunneling magnetoresistance (abstract)(talk) |
| 11:05 - 11:40 am |
Na Sai, UC San Diego Approach to steady state and dynamical corrections to DFT-LDA conductance in nanoscale conductors |
| 11:40 - 12:15 pm |
Wenchang Lu, North Carolina State University Non-equilibrium Quantum Transport in Nanoscale Devices: An Efficient O(N) Approach |
| 12:30 - 1:15 pm |
LUNCH SERVED (700 Clark Hall) |
| Session Chair: David Prendergast |
|
| 1:45 - 2:20 pm |
Gustavo E. Scuseria, Rice University New density functionals applied to old problems |
| 2:20 - 2:55 pm |
Richard Hennig, Ohio State University DMC calculations of high pressure phases in Si and defects in Si (abstract) (talk) |
| 3:05 - 4:35 pm |
POSTER SESSION II (701 Clark Hall)
|
| Session Chair: John Shumway |
|
| 4:35 - 5:10 pm |
Simone Chiesa,University of Illinois Correcting finite size errors in QMC (abstract) (talk) |
| 5:10 - 5:45 pm |
David Roundy, Cornell University Internal friction and the silicon divacancy (abstract)(talk) |
| 6:30 pm |
CONFERENCE BANQUET
(Statler Hotel, Terrace Lounge) |
| 7:00 - 8:30 am |
BREAKFAST SERVED (Robert Purcell Union dorm-residents only) |
| SCIENTIFIC PROGRAM
(200 Baker Hall) |
|
| Session Chair: Lubos Mitas |
|
| 9:00 - 9:35 am |
Michal Bajdich, North Carolina
State University Pfaffian wavefunctions with pairing orbitals for QMC |
| 9:35 - 10:10 am |
Michele Casula, SISSA, Trieste Lattice regularized diffusion Monte Carlo (abstract)(talk) |
| 10:10 - 10:30 am |
COFFEE BREAK |
| Session Chair: Mark Hybertsen |
|
| 10:30 - 11:05 am |
Peihong Zhang, UC Berkeley Electron-phonon coupling, and phonon renormalization in metals |
| 11:05 - 11:40 am |
Paul Kent, University of Cincinnati Combined DFT and many-body calculations of cuprate superconductors |
| 11:40 - 12:15 am |
Sohrab Ismail-Beigi, Yale University Excited State Forces from Ab Initio Green's Functions: Application to Self-trapped Excitons in Quartz (abstract)(talk) |
| 12:15 - 12:20 pm |
CONCLUDING REMARKS |
| 12:30 - 1:15 pm |
LUNCH SERVED (700 Clark) |
For last year's program click here.