There may be additional afternoon discussions sessions organized ad hoc.
Monday June 22
Monday Morning
Goals and Emphasis; Meeting Reports
9:00 - 9:10 Meeting Goals (Lusk, Nazarewicz)
9:10 - 9:15 Webpage, highlights solicitation (Furnstahl)
9:15 - 9:45 Extreme Computing Workshop Report (Lusk/Vary/Ng)
9:45 - 10:30 SciDAC Meeting Report (Vary)
10:30 - 11:00 Coffee Break
Ab Initio Structure
11:00 - 11:30 QMC (Pieper or Wiringa)
11:30 - 12:00 ADLB (Lusk)
12:00 - 12:30 CC Developments (Hagen/Papenbrock)
Monday afternoon discussions
2:00 - 2:30 NN interactions from Lattice QCD (Luu)
2:30 - ?? Calculations in external fields (Carlson/Vary/Furnstahl)
Large-scale calculations of nuclei (CC, QMC, CI) demonstration of largest scale use (Carlson/Navratil/Papenbrock)
Monday Evening
Ab Initio Structure and Reactions
7:00 - 7:40 Physics capabilities and results with MFDn (Maris/Vary)
7:40 - 8:00 Applied Math/Comp Sci Developments with MFDn (Yang)
8:00 - 8:30 Ab initio reactions of nucleons on light nuclei (Navratil)
Tuesday June 23
Tuesday Morning
DFT Infrastructure and Applications
9:00 - 9:30 Large-scale DFT calculations (Stoitsov)
9:30 - 10:00 DFT Optimization (Sarich/Wild)
10:00 - 10:30 DFT requirements for leadership-class computers (Schunck)
10:30 - 11:00 Coffee break
11:00 - 11:30 The wavelet-based DFT solver (Fann/Pei)
11:30 - 12:00 3D-SLDA solver (Magierski)
Afternoon discussions
2:00-2:30 MassExplorer developments (Stoitsov)
2:30-??? DFT for neutron droplets and condensates
(Bertsch/Bulgac/Carlson/Dobaczewski/Nazarewicz/Pei)
Tuesday evening
6:45-7:00 Meeting with Ted Barnes from DOE
DFT Infrastructure and Applications
7:00-7:30 New-generation functionals (Dobaczewski)
7:30-8:00 Optimization strategies (More)
8:00-8:30 Structure of even-even nuclei using the D1S Gogny interaction (Delaroche/Bertsch)
Wednesday, June 24
Wednesday morning
Ab-initio functionals
9:00 - 9:40 Overview and Comparison to ab initio structure (Furnstahl)
9:40 - 10:20 Density Matrix Expansion EDF for generalized Skyrme Functional (Bogner)
10:20 - 10:30 Discussion of DFT calculations with DME EDF (Bogner/Schunck/Stoitsov)
10:30 - 11:00 coffee
DFT Extensions
11:00 - 11:30 The CI solver (Vary)
11:30 - 11:50 Recent progress with the J-scheme CI code NuShellX (Brown)
11:50 - 12:10 Shell-model CI codes and applications (Johnson)
12:10 - 12:30 CI approach to complex nuclei and level densities (Horoi)
Afternoon discussions
2:00 - ?? CI UNEDF codes for Years 4 and 5 (Vary/Ormand)
Wednesday evening
DFT Extensions
7:00 - 7:30 A Skyrme QRPA code for deformed nuclei (Terasaki)
7:30 - 8:10 TD-SLDA Software Status (Roche/Stetcu)
8:10 - 8:30 TD approaches to structure and reactions (Nakatsukasa)
Thursday June 25
Thursday Morning
Reactions
9:00 - 9:20 Effective interactions for folding (Escher)
9:20 - 9:50 Capture and pre-equilibrium reactions (Kawano)
9:50 - 10:10 Coupled channel calculations (Nobre)
10:10 - 10:30 Averaging over resonances (Arbanas/Bertulani)
10:30 - 11:00 Coffee Break
11:00 - 11:15 Computing Parallel KKM (Roche)
11:15 - 11:30 Two-step calculations of optical potentials (Thompson)
Year-3 Deliverables, Year-4 Plans (I)
Focus on Phy/CS/AM collaborative efforts
11:30 - 12:00 Reactions (Thompson)
12:00 - 12:30 Ab Initio (Carlson)
Thursday Afternoon
Year-3 Deliverables, Year-4 Plans (II)
Focus on Phy/CS/AM collaborative efforts
4:30 - 5:00 Ab Initio Functionals (Furnstahl)
5:00 - 5:30 DFT Applications (Nazarewicz)
5:30 - 6:00 DFT Extensions (Horoi)
Thursday Evening
7:30 UNEDF Town Meeting (led by the UNEDF Council)
* Lessons learned.
* How are we doing in terms of Year-3 and SciDAC-2 deliverables?
* Year-3 CPR and Year-4 proposal. Schedule, responsibilities.
* UNEDF Organization
* UNEDF Website (Furnstahl)
* Next annual meeting
* Outreach
* Potential covers
* Moving towards sciDAC-3
* Discussion
Appendix: Year-3 Deliverables
A) Ab Initio
Ab-initio calculations for neutron drops and asymmetric nuclear matter, including the response to external potentials (pp. 8-11)
Calculate ab initio one-body densities for spherical and deformed nuclei and use them to inform DFT (8-11)
Develop scalable and load-balanced parallel spherical CCSD code (10-11)
Asynchronous Dynamic Load-Balancing improvements (microparallelization, debugging) for 12C in GFMC
Parallel eigensolver improvements for MFDn. Develop highly tuned MFDn code for
dimensions 108 (14)
B) An Initio Functionals
Extend DME and validate against ab initio calculations. Test a refit Skyrme functional including universal long-range DME parts. Develop orbital-based nuclear DFT (18-20)
C) DFT Applications
Develop Skyrme-DFT multiwavelet code based on MADNESS, portable and scalable on
NLCF machines. Implement outgoing boundary conditions (24-25)
Benchmark multiwavelet and ASLDA DFT solvers with pairing (25)
Parallelize HFODD and interface HFTHO/HFODD package with optimization codes (26)
Using limited data set, including microscopic input (novel density dependence from DME), perform optimization and error propagation studies of nuclear EDF (26)
Complete survey of odd-even binding energy differences and single-quasiparticle excitations in well-deformed odd-A nuclei (27, 29)
Develop a B-spline, coordinate space DFT solver for nonlocal functionals (29)
D) DFT Extensions
Use the deformed QRPA code to study low-lying collective states and weak decays; develop second-QRPA extension needed for reaction theory (32)
Develop a coordinate representation Time-Dependent-DFT code TD-SLDA and apply it to excited states of nuclei (32-33)
Use CI Moments code to calculate the nuclear level densities for the rp-process nuclei and provide input to Hauser-Feshbach treatment of reaction rates (34)
Optimize performance of CI-NuShellX and speed it up by an order of magnitude (35)
Optimize performance and load-balance of CI-REDSTICK code with three-nucleon forces to reach 500M basis states in 12C (35)
E) Reactions
Investigate reactions in light nuclei using ab initio methods: NCSM with RGM, and GFMC. Benchmark n-7Li, n-8He, and move towards nuclear projectiles (37,38)
Develop parallel coupled-channel (CCh) reaction code capable of handling 105 linear equations; use CCh entrance channel wave functions for (n,g) capture rates (39)
Use realistic QRPA input to improve reaction rates (39)
Improve optical potentials by adding two-step transfer contributions (40)
Extend KKM model to doorway and scale for improved statistical sampling (40-41)