There may be additional afternoon discussions sessions organized ad hoc.
Arriving Sunday June 19
Dinner provided
Monday June 20
Monday Morning
Welcome: Meeting Goals
8:40 - 8:50 Welcome and Local information (Brown)
8:50 - 9:00 Meeting Goals (Nazarewicz)
9:10 - 9:20 Deliverables, highlights, annual/exit report (Furnstahl)
Ab Initio Structure
9:20 - 9:30 Introduction (Carlson)
9:30 - 10:00 QMC calculations of Nuclei and Neutron Drops (Gandolfi)
10:00 - 10:30 GFMC update (Pieper)
10:30 - 11:00 Coffee Break
11:00 - 11:15 ADLB update (Lusk)
11:15 - 11:45 Large-Scale Shell Model Calculations (Maris)
11:45 - 12:00 Math/CS issues related to shell model (Aktulga/Ng)
12:00 - 12:30 Ab initio Coupled Cluster Calculations of Nuclei: Status and
Outlook (Hagen)
Monday Afternoon
2:00 - 2:30 Ab initio perspective on effective single-particle energies and
shell structure (Duguet)
2:30 - 2:45 LQCD update (Carlson)
2:45 - 3:15 Update on Algorithms & GPU-based Many-Fermion Calculations (Drut)
3:15 - 4:00 Calculations in external fields, status report (Carlson/Maris)
4:00 - ?? Future of UNEDF website (Furnstahl)
UNEDF codes repository (Vary)
UNEDF codes publication (Nazarewicz, Thompson, Dobaczewski)
Monday Evening
Guest Presentations
7:00 - 7:30 SA-NCSM developments (Draayer/Dytrych)
7:30 - 8:00 Skyrme energy-density functional approach to collective dynamics (Yoshida)
8:00 - 8:30 Computing the equation of state for astrophysical simulations (Horowitz)
8:30 - 9:00 Advancing the theory of transfer reactions: a report from the
TORUS collaboration (Nunes)
Tuesday June 21
Tuesday Morning
DFT Infrastructure and Applications
8:55 - 9:00 Introduction (Nazarewicz)
9:00 - 9:30 UNEDF1 Functional (Schunck)
9:30 - 10:00 Towards the UNEDF2 Functional and Beyond (Stoitsov)
10:00 - 10:30 Phenomenological N3LO functionals for nuclei (Dobaczewski)
10:30 - 11:00 Coffee break
11:00 - 11:20 The wavelet-based DFT solver, treatment of resonances (Pei)
11:20 - 11:40 Neutron droplets in DFT (Kortelainen)
11:40 - 12:10 Orbital-based DFT (Drut)
12:10 - 12:25 POUNDERS update (Wild)
Tuesday Afternoon
4:00 - 4:15 Computational aspects of EDF optimization (Sarich)
4:30 - ?? Theory needs for FRIB, Meeting with Brad Sherrill,
FRIB Scientific Director
Tuesday evening
7:00 - ?? Towards "SCIDAC 3" (Carlson/Lusk)
Wednesday, June 22
Wednesday morning
9:00-9:30 The future of simulations for Science and Energy (Dean)
Ab-initio functionals
9:30 - 9:35 Overview (Furnstahl)
9:35 - 9:45 Neutron/nuclear matter/pairing with 3NF (Furnstahl for Hebeler)
9:45 - 9:55 SRG developments (Wendt)
9:55 - 10:10 SRG-evolved operators (Anderson)
10:10 - 10:30 In-medium SRG (Bogner)
10:30 - 11:00 Coffee break
11:00 - 11:15 HFB/DME and QRPA calculations (Hergert)
11:15 - 11:35 Constraints on Explicit Nuclear Density Functionals from
Coupled-Cluster Theory (Holt)
DFT Extensions
11:35 - 11:45 Introduction (Horoi)
11:45 - 12:15 Applying the Deformed QRPA (Terasaki/Engel)
12:15 - 12:45 Time-dependent approach to nuclear systems (Stetcu/Roche)
Wednesday afternoon
2:00 - 3:00 Leadership Class Configuration Interaction Code Meeting report (Vary/Johnson)
3:00 - 3:30 TDSLDA today and the road ahead (Bulgac)
3:30 - ? Meeting with Ted Barnes from DOE
Wednesday evening
DFT Extensions
7:00 - 7:30 High-Performance Algorithm for Calculating Non-Spurious
Spin- and Parity-Dependent Nuclear Level Densities (Senkov/Horoi)
7:30 - 7:50 Progress on NuShellX J-scheme configuration interaction code (Brown/Mcdonald)
7:50 - 8:20 Progress on the BIGSTICK configuration-interaction code (Johnson/Ormand/Krastev)
8:20 - 8:40 A Massively Parallel Adaptive 3-D DFT Solver for Nuclear Physics (Fann)
Thursday June 23
Thursday Morning
Reactions
9:00 - 9:30 Reaction Theory Overview (Thompson)
9:30 - 10:00 Statistical Nuclear Reactions (Arbanas)
10:00 - 10:30 Ab Initio Calculations of Light Ion Reactions (Ormand)
10:30 - 11:00 Coffee Break
Year-5 Deliverables (I)
Focus on Phy/CS/AM collaborative efforts
11:00 - 11:30 Reactions (Thompson)
11:30 - 12:00 Ab Initio (Carlson)
12:00 - 12:30 Ab Initio Functionals (Furnstahl)
Thursday Afternoon
Year-5 Deliverables (II)
Focus on Phy/CS/AM collaborative efforts
2:00 - 2:30 DFT Applications (Nazarewicz)
2:30 - 3:00 DFT Extensions (Horoi)
Thursday Evening
7:00 UNEDF Town Meeting (led by the UNEDF Council)
* Lessons learned.
* How are we doing in terms of SciDAC-2 deliverables?
* Year-5 Exit Report. Schedule, responsibilities.
* UNEDF Organization
* UNEDF Website (Furnstahl)
* Outreach
* Potential covers
* Moving towards SCIDAC-3
* Discussion
Friday June 24
Breakfast and departure
=================================
Appendix: Year-5 Deliverables
Ab-initio Deliverables
=======================
Analyze LQCD calculations of multi-baryon systems at sufficiently low pion mass to permit extrapolation to the physical point (10).
Continue improvements to ADLB resulting in community usable code (12).
Calculate the Hoyle state with GFMC (12).
Study role of NNN forces in medium mass nuclei with CC (13).
Complete CUDA hybrid Monte Carlo (HMC) codes and apply them to the first largescale HMC calculations of the unitary Fermi gas (14).
Further calculate homogeneous neutron matter and neutron drops in external fields using GFMC and AFDMC to create pseudo-data for constraining energy density functionals (13,15).
LCCI Deliverables
=================
The LCCI project will deliver final UNEDF versions of LCCI codes, scripts, and test cases and the prototype DBMS will be completed and released (21,23).
Understand the scalability barriers in NuShellX to enable the most effective use of Graphic Processing Units (GPUs) and leadership-class machines (48).
Improve the scalability of BIGSTICK CI code up to 50,000 cores (48).
Use BIGSTICK code to investigate isospin breaking in pf shell (49).
Ab initio Functionals Deliverables
==================================
Use in-medium SRG to develop valence shell model Hamiltonians and effective
operators for open-shell nuclei (27).
Develop improved DME functionals that go beyond Hartree-Fock. Perform neutron
drop benchmarks starting from realistic NN and NNN interactions and validate
against ab-initio calculations (29,31).
Develop the Optimized Effective Potential method for 3D-HFB; compare with HF,
HF-DME, and ab initio (30).
DFT Applications Deliverables
============================
Continue development of model-based optimization algorithms for noisy and constrained calculations. Global explorations of the parameter space by means of a space-filling design in order to delineate regions of stability of EDF (35).
Develop open-source implementation of POUNDERS (35).
Implement the constrained 3D Skyrme-HFB-MADNESS framework and apply to fission and cold fermions (36).
Full implementation of ADIOS in HFODD; set up framework for automatic restart (37).
Further optimize the ASLDA DFT solver (39).
Optimize generalized Skyrme functionals and DME functionals by considering additional constraints on states at large deformation, shell structure, giant resonances, and neutron droplets pseudo-data from ab-initio calculations (31,40-41).
Use UNEDF functionals in large-scale surveys, spectroscopy, and description of fission (40-41).
DFT Extensions Deliverables
===========================
Use the new QRPAdef code to complete the beta decay calculation (44).
Develop DFT-consistent code beyond QRPA (44).
Use the TDSLDA code to describe collective motion in nuclei (46).
Develop and test the J-Moments nuclear level density code that removes the center-of-mass spurious states (47).
Use the new J-Moments code to calculate reaction rates in the rp-process path (47).
Reaction Deliverables
=====================
Investigate reactions in light nuclei using NCSM with RGM: Benchmark n-8He, and n-9Li scattering. Investigate p-7Be and 3H+4He scattering and capture reactions. Use two-, three-, and four-body transition densities for A=3,4 nuclei. Development of three-body transition density calculation for A>4 (51-52).
Analyze Ab initio nuclear scattering in HO traps to three and four-body systems such as n-d and n-t (53).
Consistent nucleon-nucleus optical potentials within elastic and all inelastic and transfer channels (54).
Fold QRPA transition densities with density-dependent and spin-orbit forces. Include effective masses, and direct charge-exchange (53).
Calculate and investigate effects of exchange nonlocalities (53,54).
Systematic generation of optical potentials for a wide range of near-spherical nuclei (54).
First nucleon-nucleus calculations with deformed QRPA transition densities (54).
Examine role of optical-potential L-dependences & non-localities in direct reaction calculations (55).
Examine energy-dependence of eigensolutions in the expansion for the KKM theory (55).