ASCR Small Business Innovation Research Update

1. ASCR Small Business Innovation Research Update Richard Carlson Richard.carlson@science.doe.gov ASCAC meeting March 5, 2013

2. SBIR Program Overview • Technology-centric focus to push basic research results to market • A strong emphasis is placed on the commercialization potential of a project • A robust outreach effort is an essential component in making this program effective • 2 major technical topics • Advanced Network Technologies and Services • Increasing Adoption of HPC Modeling and Simulation in the Advanced Manufacturing and Engineering Industries

3. FY2013 SBIR Phase I Sub-Topics • 2 technical topics, 7 sub-topics • 1-A: Management tools for Network Operators • 1-B: Optical Network Support Services • 1-C: Video Collaboration Services • 1-D: Big Data-Aware Middleware and Networking • 2-A: Turnkey HPC Solutions for Manufacturing and Engineering • 2-B: HPC Support Tools and Services • 2-C: Hardening of R&D Code for Industry Use

4. FY2013 Phase I Background • Received 140 Letters of Intent • Topic 1: 62 • Topic 2: 78 • Received 78 Full Proposals ($17.8M) • Topic 1: 28 • Topic 2: 50

5. FY2013 Phase I Funding • 20 Proposals Funded ($4.1M) • 3 STTR ($0.5M) • 16 SBIR ($2.4M) • 1 Fast-Track ($1.2M) • combined Phase I and Phase II proposal

6. FY2013 Phase II Background • 25 FY2012 Phase I awards made • 24 proposals received ($9.9M) • Topic 1: 6 proposals received • Topic 2: 18 proposals received • Funding decisions will be announced in March

7. “Catalytic Converter Modeling on Emerging Personal Computers and Small Clusters” – Chekuri Choudary (RNET Technologies) and Sandip Mazumder (Ohio state University) Develop a computational tool for full scale simulation of catalytic systems with complex chemistry and overnight turnaround time. Leverage an existing CFD code developed by OSU. Introduce performance optimizations to fully utilize the compute resources (Multicores, Graphical Processing Units i.e GPUs etc.) in emerging compute architectures. Demonstrate overnight turnaround time feasibility on high end workstations, small clusters, and cloud resources. Exercise the accelerated code on realistic problems and record computational gains. Identify the features (support for third party mesh generation tools, cloud based simulation capability etc.) that enhance the usability. Quick simulation capability with complex chemistry is the need of the hour. Existing codes (ANSYS®/FLUENT etc.) developed over past several decades don’t lend to modern architectures requiring days of simulation time and huge clusters for full scale simulation. The overnight turnaround time on regular and affordable hardware and computational clouds enable the industry to adopt CFD modeling in designing catalytic systems and explore new and/or less expensive catalysts in a relatively short period without the need for expensive HPC infrastructure. Even non-experts and occasional users can run the simulations. Helps the industry meet the emissions standards both in the energy and transportation sectors through timely and affordable development of next-generation catalytic systems. Impact Objectives Accomplishments • On an 8-core machine with Quadro 4000 GPU, ~4.5 speedup for 3D test problems with 300K cells, 20+ reactions, and various mesh topologies. • Entire simulation of a 3D monolith with 313872 cells, 37440 reacting faces got reduced to 4 hours from 19 hours by multicore and GPU optimizations. • Linear speedup for surface chemistry calculations using upto 8 cores. • 3X-5.6X speedup for species equations optimization using upto 8 cores. • 1.3X-2.3X speedup for pressure correction equation using attached GPU. • Linear speedup for material properties calculation using upto 8 cores. • A conceptual cloud computing model that allows engineers easily setup and run simulations in a cloud environment. COMMERCIALIZATION: • Discussed the product commercialization with ANSYS (Dr. Shane Moeykens, Manager of the ANSYS Strategic Partnership Program). Partnership will accelerate the product penetration into CFD market. • Product selling in 3 different forms: SIMCAT (the simulation tool), SIMCAT-CLOUD (cloud based simulation), and SIMCAT with Hardware Foundation (customized hardware in addition).

8. BOLT: Optimization-Based Production Scheduling for Complex Manufacturing Plants Delivered as a Service using High Performance Computing Architecture & Algorithms [PI: Vijay Hanagandi, Optimal Solutions, Inc.]Sub-award Contractor: University of Wisconsin, Prof. Christos Maravelias The framework will lay the foundation for all of our future work The HPC solution will significantly speed up our solution process and will help us scale-up to complex plants, resulting in better solutions The prototype will essentially prove the concept and expose the risks, technology hurdles, and opportunities. Objectives Impact • Develop a general framework for the formulation of optimization-based scheduling models • Design and develop a High Performance Computing (HPC) solution approach to solve large and difficult scheduling problems • Design and develop an application prototype that may be deployed as a service Accomplishments • Demonstrated via the formulations we developed and tested, that High Performance Computing (HPC) can effectively address the issue of scalability on scheduling problems of commercial size. • Our decomposition-based scheduling algorithm gave significantly improved performance when compared to simply using the native parallelization embedded in the CPLEX solver. • Demonstrated with our BOLT prototype that we can securely and efficiently provision optimization-based scheduling as a service over the Internet – thus paving the way for commercialization of our solution via the SaaS business model. • Filed for a provisional patent to preserve priority date for our invention concerning the delivery of our solution over the Internet using HPC algorithms and architecture. • Submitted an abstract of our work to present at the INFORMS Spring 2013 Conference. Figure as applicable

9. “Tools for Auto-calibration of Building Energy Models and Predictive Control” PI: David Bosworth, BUILDlab LLC Provide software pipelines and interfaces that allow building energy engineers to direct high power computing resources to the problem of calibrating simulated building energy models with real time data. Reduce person-hours required to calibrate building energy models and increase reliability of the results. Develop Fault Detection and Predictive Control of buildings mechanical systems based on automated continuous calibration of models. Energy Service Corporations rely on well calibrated models to make large capital energy efficiency measure investments. Improved ability to make more reliable investment predictions opens up untapped sectors of the building retrofit markets. Fault detection and predictive control reduce building energy use through early detection of equipment malfunction and advanced system control algorithms. Objectives Impact Accomplishments • Successful auto-calibration of a thermal test chamber in both “passive” (unconditioned) and “active” (under control of an air to air heat pump) mode (Figure 1,2), along with successful fault detection protocols and prototypes of predictive control algorithms. • Preliminary results published in the proceedings of the International Building Performance Simulation Association USA SimBuild Conference (Madison, WI 2012.) • Attraction of significant interest and letters of support from Energy Service Corporations (SciEnergy Dallas Texas), software developers (PSD, Ithaca New York), building energy design and consulting firms (Atelier Ten, New York, San Francisco & TNZE Energy, Boston MA), and private funding agencies (Seed Capital Fund, Syracuse NY, Cayuga Venture Fund, Ithaca NY). Figure 1: 32 Day Active Calibration, Daily Energy Use Figure 2: 32 Day Active Calibration: Linear Regression of Predicted and Measured Daily Energy Use

10. “Packaging PETSc for Commercialization” – Travis Austin (Tech-X Corporation) Develop single-click installers for commercial packaging of PETSc. Establish a basis for an industry-focused PETSc tutorial. Establish a basis for a validation system for PETSc solvers against Matlab. Imaging company (www.vsg3d.com) has faster iterative solver on Windows using PETSc on GPUs. Improved PETSc on Windows by submitting patches to the PETSc team. Developed new understanding of market opportunities for sparse linear algebra libraries. Objectives Impact Accomplishments • Created beta-level installers and developed a Sphinx-based online documentation and validation system for future customers. • Sold beta-level release of PETSc to customer (www.vsg3d.com) realizing first customer opportunity. • Found two academic customers and an additional potential industry customer. • Developed marketing materials in consultation with two marketing firms. Fig.1: COSML (Collection of Open Source Mathematical Libraries) is the Tech-X commercial packaging of PETSc and any future open source mathematical libraries.

11. “User-Centered, Collaborative, Web and Radiance-Based Lighting Simulation, Visualization and Analysis” PI: Dr. Daniel Glaser, Light Foundry LLC Facilitate widespread use of LBNL RADIANCE in lighting design and analysis Support for climate-based annual, and other multivariate simulations Create innovative workflows for parametric design and analyses Incorporate 4 rounds of user-research into feasibility prototype: Field research of baseline practices Testing of low-fidelity paper prototypes as well as working software Co-design techniques recognizing expertise of target audience Employ fast, daylight coefficient simulation techniques Design and prototype High-Performance Computing (HPC) software architecture Provide administrative tools for viewing HPC system status and other controls Design collaboration techniques Reduction of copious lighting energy use in buildings (~40% less) A plethora of task and health benefits to building occupants Using software with local design teams on the following projects: Energy and Engine Building, Colorado State University, Ft. Collins, CO. United States Forest Service (USFS) Offices, Salida, CO. St. Anne’s Episcopal School Dining and Performance Hall, Denver, CO Joseph Nyekindi Community Academy, Wau, South Sudan. 1.1 Million ft2 Undisclosed Commercial Complex, Silicon Valley, CA. Contract with daylight product manufacturer (Solatube International): Integration of optical devices into RADIANCE simulation and visualizations Consistent, detailed cloud versus unsystematic, simplistic PC simulations Expand and improve collaboration and communication among stakeholders Further R&D in HPC and other areas show promise for widespread adoption Objectives Impact Accomplishments • Experts completed tasks 25-95% faster on prototypes and understood more than baseline tools and practices • Implemented several innovative ways of interacting with data and analyses using server-side and dynamic web technologies • Developed several easy to use workflows to manage common, but complex tasks such as for LEED green building certificates • New approaches for visualizing and categorizing climate data • Presented “Parametric Daylight Design and Analyses,” at the Daylight Institute, LightFair International, Philadelphia, May 7, 2012 • Highly positive feedback from users: • “This tool fills a gap” Emmett Harrison, Fentress Architecture • “This would take me two weeks of work that I can now do in a day”, Alan Doggett, Hutton Architecture Studio • “This matrix is really awesome”, Tom Hootman, RNL Architecture Simplicity of Feasibility Prototype, informed through user research, enables a variety of people to direct complex HPC simulations on tablets for improving energy efficiency and building quality

12. Conclusions • ASCR SBIR program has been restructured to push commercialization of ASCR funded research • This restructuring has produced positive results in the 1st year • ASCR will continue a robust outreach program to engage small businesses in developing new products, tools, and services

13. Questions?