September 2011 - Allocations-admins - mailman3.cels.anl.gov

Re: [allocations-admins] [LCRC Accounts] Yearly Allocation Request from Li_air_battery
by John Valdes 15 Sep '11

15 Sep '11

> A yearly allocation for the LCRC cluster has been requested with the > following updated information: > > Submitter/PI: Kah Chun Lau > Project Name: Li_air_battery > [...] > Project description: [...] The requested time is 900,000 core-hours. > [...] > New FY Requested allocation: 900 > Q1: 250 > Q2: 250 > Q3: 200 > Q4: 200 FYI, another one that entered hours as K-hours. John

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New LCRC report submitted for power-grid-sim
by support＠lcrc.anl.gov 15 Sep '11

15 Sep '11

Full project report at https://accounts.lcrc.anl.gov/reporting/project/2011/?project=power-grid-sim

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New LCRC report submitted for kcsa
by support＠lcrc.anl.gov 15 Sep '11

15 Sep '11

Full project report at https://accounts.lcrc.anl.gov/reporting/project/2011/?project=kcsa

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[LCRC Accounts] Yearly Allocation Request from ESMF
by accounts＠lcrc.anl.gov 15 Sep '11

15 Sep '11

Hello, A yearly allocation for the LCRC cluster has been requested with the following updated information: Submitter/PI: Silverio Vasquez Project Name: ESMF Division: MCS Project title: Earth System Modeling Framework Associated funding: DOD, NASA, NSF, NOAA Other Systems: external: NERSC, NCAR, ORNL, NCSA, NASA Science: The Earth System Modeling Framework (ESMF) enables the coupling of model components in high performance Earth system modeling codes. ESMF component interfaces have been implemented in most of the prominent climate and weather codes in the U.S.: CCSM, WRF, NASA GEOS-5, EMC GFS/NEMS, NRL COAMPS and the GFDL MOM4 ocean. In general, componentization with ESMF has been implemented at the level of major physical domains, where simulated interactions require inter-component data communications (e.g. atmosphere, ocean). This implementation is compatible with codes such as WRF that impose their own interoperability conventions at the level of individual physics parameterizations. The codes listed above, plus the full GFDL modeling system under FMS, can now operate within a component-based, hierarchical architecture in which large-scale components can be called as subroutines. This was not the case when ESMF began. Over the years ESMF has evolved and now can be used in multiple ways: 1) to create interoperable component-based modeling systems; 2) as a source of remapping, time management, metadata handling, and other functions that can be used independently of the component constructs; and 3) as a file-based offline generator of interpolation weights for many different kinds of grids. This tool reads in two grid files in NetCDF format and outputs weights for interpolation between the two grids. The recent technical focus has been on continued development of ESMF grid classes and a regridding capability. These are built on a base of two flexible data representations that were constructed in previous years: an unstructured finite element mesh library and a general array class designed to support fields on logically rectangular grids. At this point ESMF can produce conservative and non-conservative interpolation weights, in parallel or serial, 2D or 3D, for grids that can be represented by triangles or quadrilaterals. Project description: The goal of the Earth System Modeling Framework project is to build high performance, flexible software infrastructure to increase ease of use, performance portability, interoperability, and reuse in climate, numerical weather prediction, data assimilation, and other Earth science applications. The framework is intended for use by individual researchers as well as major operational and research centers. ESMF products include an API specification, a reference implementation accompanied by extensive documentation, and an exhaustive regression test suite that includes 4000+ unit tests, system tests, and examples. The ESMF software consists of a superstructure for coupling and exchanging data between models components (e.g., atmosphere, ocean) and an infrastructure consisting of 1) data structures for representing grids and fields and 2) an optimized, portable set of low-level utilities. The data constructs and low-level utilities can be used by the coupling superstructure and may also be used separately to compose scientific applications. A prototype implementation of Web Services enables users to make their ESMF Components accessible via a SOAP (Simple Object Access Protocol) interface. By implementing a simple function call in the application driver, the user can make a Component's initialize, run and finalize routines executable through a standard web interface. ESMF uses a mixture of C++ and F90. Most of the low level classes are implemented in C++ and have Fortran bindings. We have worked out a detailed interoperability specification which allows F90/C to interact on multiple platforms. Project URL: http://www.earthsystemmodeling.org Current FY Hours Used: undetermined amount New FY Requested allocation: 12000 Q1: 3000 Q2: 3000 Q3: 3000 Q4: 3000 Justification: The ESMF code is regression tested times daily on the intel, g95 and gfortran compilers. We use about 15 core hours daily which calculates to 105 hours a week. Since we expect to add more software and tests during the year, we expect this amount to increase to close to 150 hours weekly. Therefore we are requesting 2000 hours per quarter for regression testing and an additional 1000 hours per quarter for ESMF code development and debugging. We are requesting less allocation this year because we only run the tests in the queue, where previously we would also compile in the queue. Thank You, The LCRC Accounts System

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[LCRC Accounts] Yearly Allocation Request from biomimetic_systems
by accounts＠lcrc.anl.gov 15 Sep '11

15 Sep '11

Hello, A yearly allocation for the LCRC cluster has been requested with the following updated information: Submitter/PI: Oleksandr Kokhan Project Name: biomimetic_systems Division: CSE Project title: Solar energy conversion in biomimetic molecular architectures Associated funding: DOE Division of Chemical Sciences, Geosciences, and Biosciences Other Systems: N/A Science: This computational project will supplement our experimental work on construction and characterization of biomimetic molecular architectures for solar energy conversion. The first aim is to use all-atom and coarse-grained Molecular Dynamics (MD) simulations to estimate changes in the hydration layer and structural flexibility of PpcA, a multi-heme c-type cytochrome from Geobacter sulfurreducens, induced by binding of various photosensitizers. These results will facilitate interpretation of Small- and Wide-Angle X-ray Scattering (SAXS, WAXS) data. The second aim is to explore a possibility of using other members of the Ppc family and similar closely related multi-heme cytochromes, as well as their genetically modified forms with different surface charge distributions as hosts for photosensitizers. Project description: We are developing biomimetic molecular architectures for efficient solar energy conversion using artificial and natural photosensitizers combined with natural and genetically engineered host systems capable to support long-lived charge-separated states and conduct charges away from the photosensitizers. Our experimental data suggests that PpcA, a multiheme redox protein from Geobacter sulfurreducens, forms light-activated electron transfer complexes with a series of light-harvesting chlorophyll analogues, such as protoporhyrin IX, chlorin e6 and tetrakis(4-sulfonatophenyl)porphine. Furthermore, our SAXS data suggest that some photosensitizers induce multimerization of cytochromes. In FY2012 our main focus will be on development of coarse-grained MD simulations. The development of residue-based coarse-grained (RBCG) force fields is a relatively new area with limited information on their shortcomings. Our preliminary results indicate that some RBCG force fields overestimate protein-protein interaction energies and that leads to protein multimerzation at concentration substantially lower than those observed in SAXS experiments. We plan to finish several simulations of model small proteins (cytochrome c, lysozyme) with major RBCG force fields and compare critical concentrations and multimer structures with our SAXS data. We expect to complete this project within half year and submit the results for publication. The second aim is to develop RBCG parameters for major photosensitizers and run a number of RBCG simulations to get further insight into factors driving photosensitizer-induced protein multimerization. The third goal for FY2012 is to run a series of 0.1-0.5 μs all-atom MD simulations on a number of mutant forms of PpcA in order predict local structural changes caused by point mutations and their effect on the heme hydration patterns. The proposed simulations will be performed with explicit solvent and periodic boundary conditions, constant pressure and temperature using CHARMM force field for all-atom and MARTINI, PACE and several other RBCG force fields with NAMD 2.8. Force field parameters for photosensitizers will be developed using Gaussian09. Initial atom coordinates for host protein frameworks will be from the structural data available from the PDB Databank or from the Schiffer group (BIO, ANL). The analysis of MD trajectories, computational docking and calculation of X-ray scattering profiles will be carried out on our lab computers. NAMD is a highly scalable molecular dynamics simulations code. Benchmarks on Fusion with PpcA in a water box (~13,000 atoms) showed more than 99% speed-up efficiency with ~1,600 atoms/CPU core and ~80% efficiency with ~400 atoms/core and yielded 5.1 and 15.7 ns/day, respectively. Benchmarks for RCGB MD simulations also show more than 95% scaling efficiency. Project URL: http://www.cse.anl.gov/fundamental_interactions/solar_conversion.html Current FY Hours Used: undetermined amount New FY Requested allocation: 450000 Q1: 150000 Q2: 150000 Q3: 75000 Q4: 75000 Justification: Thank You, The LCRC Accounts System

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[LCRC Accounts] Yearly Allocation Request from Li_air_battery
by accounts＠lcrc.anl.gov 15 Sep '11

15 Sep '11

Hello, A yearly allocation for the LCRC cluster has been requested with the following updated information: Submitter/PI: Kah Chun Lau Project Name: Li_air_battery Division: MSD Project title: Computational studies of Li-Air battery components Associated funding: LDRD Other Systems: CNM, EMSL-PNNL Science: Unlocking the true energy capabilities of the lithium metal (negative) electrode in a lithium battery has been mainly limited by the low capacity in intercalation and conversion reaction at the positive electrodes. However, it can be overcome by removing these electrodes and allowing lithium to react directly with oxygen in the amosphere, forming the lithium-air battery as being a hybrid battery-fuel cell system. Compared to other metal-air batteries, Zn-air and Al-air cells have aqueous electrolytes and operate at a relatively low voltage of ~1.4 V and ~1.2 V, respectively, whereas for the non-aqueous Li-air cells, it provides ~3 V and therefore yields a significantly higher specific energy. During the electrochemically reduction of oxygen, the small yet highly reactive Li cations tend to form ionic bonds in terms of lithium (per)oxides (i.e. Li2O2 and Li2O) leading to their precipitation on the electrode surfaces. These surface coverage species by the O2 reduction products passivate the electrode, shut down the reduction, and render the reaction irreversible. The formation of Li2O and Li2O2 are both thermodynamically possible at nearly identical potential (~ 3V), however, the physical and chemical properties of these compounds remain elusive, a systematic theoretical study of these system are therefore critically important. Lithium-air cells can be considered the 'holy grail' of lithium batteries because they offer, in principle, a significantly superior theoretical energy density to conventional lithium-ion systems. While the inherent energy potential of lithium metal approaches that of gasoline, today's battery manufacturers have not yet been able to unlock this potential because of : (1) the non-aqueous electrolytes are unstable at high potentials and are easily oxidized by the oxygen released during charge, thereby seriously limiting cycle life; (2) during discharge, the solid and insoluble Li2O2 and/or Li2O products are deposite d on the surface or within the pores of the carbon cathode, thereby clogging the pores and restricting oxygen flow; (3) poisoning of the lithium electrode due to oxygen crossover destroys the integrity and functioning of the cell; and (4) commonly used cathode catalysts, such as metals, metal complexes, and metal oxides, do not access the full capacity of the oxygen electrode or enable sufficiently high rates. Thus in the computational studies, these problems will be addressed and explored based on state-of-the-art atomistic modeling techniques. This is a project in its third year that was awarded a Grand Challenge LDRD. Project description: This work will be done in close collaboration with the Energy Storage Program at Argonne and will focus on the development of (1) new electrolytes, (2) cathode catalysts, and (3) electrode/electrolyte designed interfaces. In the work on electrolytes the objective of this project is to continue investigating the electrochemical stability and dynamic of new silicon-based electrolytes that invented from the experimental group at Argonne. We will use computational chemistry, ab initio molecular dynamics methods. For the basic study of thermochemistry, oxidation potentials and chemical decomposition of this new solvent, density functional methods and high-level ab initio methods will be used. Besides, the effects of various ions solvation with various electron withdrawing groups, electron donating groups, and functional groups will also be studied. To consider the dynamic responses of ion-solvent interactions under various concentration, the ionic conductivity and diffusion constants will be explored based on ab initio molecular dynamics methods. In the meantime, to extract the relevant potential energy surfaces on-the-fly while various reactions are involved, we will use the state-of-the-art ab initio metadynamics method to explore the possible “rare events” that might happen on a long time scale in molecular dynamics regime. By incorporating the strengths of these different simulation techniques, ultimately it will enable us to design better and electrochemical stable electrolytes for the rechargeable Li-air batteries. In the work on the cathode catalysts, computational modeling will play an integral part in collaboration with experimentalist as a team. The work will focus on (1) understanding catalytic processes and (2) design of improved catalytic components for the cathode to improve the oxygen reduction reaction activity (ORR). Density functional calculations will be carried out to determine the reaction mechanism involved in breaking and making the Li-O bonds in the cathode compartment and surface chemistry of Li-air cells. This will include calculations of discharge potential, adsorption energies, intermediates, transition states of various reaction pathways to determine the rate-determining steps of ORR. In addition, screening of potential catalyst candidates for optimal Li-O bond breaking and making properties will be undertaken. This will involve the derivation of descriptors that correlate with properties such as key reaction barriers, which need to be optimized for the catalysts to perform optimally. In the work of electrode/electrolyte designed interfaces, the DFT and ab initio molecular dynamics methods will be employed in collaboration with experimentalist at Argonne. We will utilize results from characterization studies such as those to be carried out at the APS to gather structural information. The work will focus on utilizing the computational model to design a well-tailored electrode/electrolyte interface of Li-air battery based on our works in electrolyte and electrode catalytic studies to fine-tune the charge transfer, transport and diffusion in the battery. In this work, we will utilize the software (CPMD, GPAW, DACAPO) being developed as a part of a new ANL computational materials design program for catalysts and energy research. This software is being developed in collaboration with Mathematics and Computer Sciences Division. The requested time is 900,000 core-hours. Project URL: Current FY Hours Used: undetermined amount New FY Requested allocation: 900 Q1: 250 Q2: 250 Q3: 200 Q4: 200 Justification: The basic electrolyte molecular studies will involve largely Gaussian, NWCHEM and VASP calculations. In Gaussian 03, the DFT calculations scales well up to 8 processors, however the high-level ab-initio methods scale only up to 2 processors. Based on our experience with these types of calculations, about 100,000 hours will be required. The work on the catalyst development will be largely done with VASP, DACAPO, GPAW codes. Six nodes (or 48 Fusion cores) is the optimal number of nodes for these types of jobs. Our experience indicates that for catalysts design using these codes will likely require about 300,000 hours. The most computationally intensive calculations are the nudged elastic band calculations to map out a complete potential energy surface. Each of these will require about 10,000 core-hours. Besides DFT and quantum chemistry based methods, the bigger system of bulk electrolytes and large surfaces of Li2O/Li2O2 on electrode/electrolyte interfaces will be computed using CPMD codes. This ab initio molecular dynamics code are well-parallelized and usually can deals up to ~ 1000 of atoms for various systems in full DFT calculation. Based on our estimation, the jobs will likely require about 500,000 hours especially for the computational intensive calculations using ab initio metadynamics and ab initio molecular dynamics methods. Thank You, The LCRC Accounts System

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[LCRC Accounts] Yearly Allocation Request from power-grid-sim
by accounts＠lcrc.anl.gov 15 Sep '11

15 Sep '11

Hello, A yearly allocation for the LCRC cluster has been requested with the following updated information: Submitter/PI: Cong Liu Project Name: power-grid-sim Division: DIS Project title: Novel Power System Operations Methods for Wind-powered Plug-in Hybrid Electric Vehicles Associated funding: LDRD, DOE-OE Other Systems: Science: In this project, the objective is to propose a novel power system operations method, namely a new stochastic unit commitment and contingency analysis, which can address the uncertainty and variability brought by wind and electric vehicles, while maintaining the stability and reliability of the system. The proposed method will make use of a unified high-performance parallel computing framework for solving the stochastic unit commitment problem as well as implementing contingency analysis. These capabilities can be used by system operators to manage the grid. It can also be applied in planning studies to assess the impact of high penetration of wind and PHEVs on the power system. Project description: The new tasks will be separated into two subtasks. 1.we will test the contingency analysis algorithm on 50000 buses power system which represents the eastern interconnection in north America. The biggest challenge of contingency analysis for bulk power systems is the limited computational capability for power flow optimization. Due to the nature of power flow computation, a thorough contingency analysis usually has to confront a brute-force enumeration of contingency scenarios. The number of scenarios is astronomically increased if multiple contingencies are taken into account at the same time (N-k). In addition, the extremely expanded scale of power systems also raises the computational cost for each single power flow run. Last but not least, there has been a need for near-real-time contingency analysis since off-line studies cannot reflect the accurate system conditions due to the mismatch between the real operating states and presumed conditions. However, taking advantage of modern monitoring techniques such as phasor meas urement units, contingency analysis tends to be implemented in real time. This kind of on-line contingency analysis calls for more advanced algorithms to achieve reasonable accuracy in a timely manner. 2. Stochastic optimization problems are suitable for high-performance parallel computing architectures since a large fraction of the variables of the problem can be decoupled between uncertainty realizations or scenarios. In the unit commitment problem, the number of coupling variables is proportional to the number of power units to be committed and the scheduling horizon. In the particular case of wind power generation, the number of units can increase dramatically. This loosely coupled structure can be decomposed at the model level (outside the optimization solver). Model-level decomposition techniques such as Lagrangean relaxation and Benders decomposition are easy to implement through a parallel computing way. in this year, we will test a algorithm by using Project URL: Current FY Hours Used: undetermined amount New FY Requested allocation: 400000 Q1: 100000 Q2: 100000 Q3: 100000 Q4: 100000 Justification: Thank You, The LCRC Accounts System

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[LCRC Accounts] Project Request: gas-phase_dynamics
by accounts＠lcrc.anl.gov 15 Sep '11

15 Sep '11

Hello, A new project on the LCRC cluster has been requested. Please forward the information on to the LCRC Allocation sub-committee. Applicant's name: Maricris Mayes Applicant's institution: ANL Applicant's division: LCF Project Name: gas-phase_dynamics Project title: Theoretical Studies of Gas-Phase Dynamical Processes Associated funding: Other Systems: LCF Science: We are interested in developing and applying theoretical/computational methods which are designed to describe dynamical processes where bond formation and bond breaking are involved, and where describing the dynamics at the atomic/molecular level is essential. Project description: The computational methods that we are developing/using are based on a combination of electronic structure and trajectory-based collision dynamics approaches, with emphasis on methods for describing the motions of nuclei in which forces are derived directly from electronic structure theory, either for processes which can be described with a single Born-Oppenheimer potential energy surface, or for nonadiabatic (multiple surface) dynamics. One of the processes of interest is the dynamics of the excited states of methane and several fuel molecules. We proposed on using highly accurate methods such as coupled-cluster and multi-reference methods to describe the electronic potential energy surfaces and couplings and about 500 trajectories to describe the dynamics. Among the programs needed to carry out the research plan include Newton-X, Columbus, and GAMESS. The current implementation of the direct dynamics is not parallel. This serial implementation is not a big issue due to the fact that multiple trajectories are run at a time since each trajectory requires thousands of force evaluations. We will also explore parallel implementation. Project URL: Requested allocation: 400000 Q1: 100000 Q2: 100000 Q3: 100000 Q4: 100000 Justification: The requester has used undetermined amount hours of their initial startup project. In addition to approving an initial amount, please specify a Category and Subcategory for this project. For a list of the current selection of approved categories, please see: https://wiki.lcrc.anl.gov/wiki/Processes/Categories Once the Allocation committee has approved the project, please go to the Project Management page to create it: https://accounts.lcrc.anl.gov/projects.php Thank You, The LCRC Accounts System

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[LCRC Accounts] Yearly Allocation Request from DFT_TM_Catal_Screen
by accounts＠lcrc.anl.gov 15 Sep '11

15 Sep '11

Hello, A yearly allocation for the LCRC cluster has been requested with the following updated information: Submitter/PI: Rees Rankin Project Name: DFT_TM_Catal_Screen Division: CNM Project title: DFT Screening Investigation on Catalytic and Electrocatalytic Phenomena of Transition Metals Associated funding: LDRD-$ and Basic Sciences Other Systems: Carbon compute cluster @ CNM here at ANL Science: In this project, we will expand on successful previous efforts (FY2009,FY2010,FY2011) to utilize the Density Functional Theory (DFT) framework to determine the geometry and associated energy(ies) of molecular reactants, intermediate moieties (e.g. reaction intermediates, and products) on the exposed surfaces of transition metals (TM ). By obtaining such properties, we can derive understanding that serves dual purposes. First, we can directly calculate the potential energy, and hence the free energy of reaction mechanisms of interest on these TM surfaces- whether they be ideal defect free surfaces (flat 111 type surfaces) or step type surfaces which represent the more reactive sites on realistic nanoparticles. Second, we can further populate our database of computational catalytic properties which will be used for predictive screening of additional reactions, catalysts, and products via interpolative schemes and Sabatier Volcano type analysis through previously de termined (and calculated) descriptors. This is particularly relevant when considering catalyst design involving multiple atomic species, such as in the case of binary or ternary alloys. These materials are of great interest for future catalytic needs for reasons of improved catalytic efficiency, product (de)selectivity, and economic viability. Project description: In the previous work in FY2010 and 2011, we performed DFT calculations to begin to study extensions of our transition metal surface catalytic beyond reduction of oxygen by hydrogen to selectively form peroxide. We have extended similar studies to examine CO2 electroreduction (CDR), and reduction of oxygen by lithium towards lithium-oxide products which may be found nucleating on catalysts in LI-Air batteries. We aim to further extend our calculations on TM catalyst surfaces to now include effects of support and high-complexity alloying on overall activity and selectivity for all previously studied reactions, as well as new ones including deNOx electrocatalysis—a critical industrial reaction. Additionally, we seek to perform AIMD finite temperature simulations to verify the structure and energy of interfacial junctions between catalyst and electrolyte in electrochemical cells relevant to the Oyxgen Reduction Reaction (ORR) and other reactions. Comp ared to our previously completed work, the new work proposed requires significantly more calculations of long time duration on multiple nodes, but with less expected reliance on time-exhausting NEB transition state calculations; if our new initial results using studies of reaction free energies alone proves insufficient, future proposal requests for additional time may be submitted to allow for completion of the aforementioned transition state barrier calculations. Our work will continue to supplement the computational materials-by-design and Materials Design Workbench database being developed. The results of populating the MDW database will allow far greater amounts of materials and catalyst reactions to be quickly predictively screened in the future. Calculations will be expected to be performed using the Vienna ab initio Simulation Program (VASP). This program , currently deployed on Fusion, uses a periodic plane-wave representation of the electronic wavefunctions of materials with a self-consistent minimization/solution under the Density Functional Theory (DFT) formalism. Recent improvements in the parallelization of VASP combined with the excellent parallel hardware capabilities in the LCRC Fusion system allow for reasonably efficient near-linear scaling for jobs running on up to ~ 80 cores (10 nodes). Superlinear scaling can occasionally now even be seemingly witnessed for small jobs in a single compute node with appropriate cache sizes. Additional calculations in the future may utilize the Dacapo DFT code, which performs similarly to VASP in the above regards Ongoing and previous calculations for this work have already been performed on the HPC Carbon cluster available at the CNM (ANL), and the Fusion system at LCRC (ANL) in FY2010/FY20101, and are continuing into FY2012. However, the resources available at CNM-ANL Carbon cluster are currently significantly overloaded even after the recent hardware expansion; small scale jobs can actually sit in the submission queue for time intervals longer than their execution related wall time. An allocation of 400k core hours on LCRC-Fusion for FY2012 would allow us to perform an estimated 40-50 AIMD simulations on the 10ps time scale (~200k core hours) to characterize the interface of catalyst/electrolyte structures and energies relevant to various electrocatalytic processes. The remaining portion of the allocation requested would be used to perform ~500 calculation sets (catalyst/adsorbate/site preference scan) for electrocatalysts relevant to the deNOx reactions proposed for study. Based on our previous results with attempts in developing Volcano Plots for prediction of novel alloy catalysts, we feel this allocation sufficient to perform all thermodynamic data calculations needed to parameterize an initio deNOx reactivity and selectivity volcano for pure-component transition metal electrocatalysts. The availability of high performance computing resources such as FUSION will greatly augment and accelerate our work in understanding these critical catalytic problems. Project URL: Current FY Hours Used: undetermined amount New FY Requested allocation: 400000 Q1: 125000 Q2: 125000 Q3: 75000 Q4: 75000 Justification: As a brief summary of typical results, Vasp 4.6 or Vasp 5.x+ with appropriate compilation, Infiniband, and modern processor cores scales well (near linear) out to approximately 80 cores or 10 (Fusion) nodes for most typical calculations on these similar HPC systems. VASP scaling does fall significantly in the regime of calculations with severely large file I/O overhead--however, this is not expected to apply to the jobs performed in the proposed work. We can provide sample benchmarks representative of the type of scaling efficiency our typical calculations have achieved to date on Fusion nodes if necessary. Thank You, The LCRC Accounts System

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New LCRC report submitted for kcsa
by support＠lcrc.anl.gov 15 Sep '11

15 Sep '11

Full project report at https://accounts.lcrc.anl.gov/reporting/project/2011/?project=kcsa

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