June 28 and 29, 2021
11:00 a.m.—6:00 p.m. (ET)

The DOE’s Advanced Scientific Computing Research (ASCR) program is seeking input from current and potential future users of high-performance computing and data analytics capabilities in order to inform future procurements. On June 28-29, 2021, a workshop will be held to facilitate a discussion on computational mission needs in the areas of clean energy and advanced manufacturing.

The Leadership Computing Facility is a collaborative, multi-lab, DOE/ASCR initiative ranked as a top domestic priority. Two centers, the Argonne Leadership Computing Facility (ALCF) and Oak Ridge Leadership Computing Facility (OLCF), address diverse and growing computational needs of the scientific community. Our mission is to provide an ecosystem, including partnering opportunities, that enables unsurpassed capability computing opportunities and the associated science and engineering breakthroughs.

We administer and support two highly competitive open science user allocation programs (INCITE, ALCC ) which provide computational allocations typically 100 times greater than routinely available for university, laboratory, and industrial scientific and engineering environments.

The LCF hosts world-class computational infrastructure, including Summit, currently the US’s fastest computer. Frontier and Aurora will be the nation’s first exascale computers, and will enter operations in 2022 and 2023, respectively. The OLCF has the capability to host and work with ITAR, HIPAA, and other sensitive data sets on Summit and other OLCF compute platforms via the CITADEL security framework.

The LCFs are augmenting their strategy to adapt to changing science needs and emerging technologies, and to leverage the utility of exascale computing across the federal government. Strategic needs are being assessed in technology areas such as:

  • AI/ML
  • Advanced data analytics & workflows
  • Heterogenous accelerated computing
  • Next generation HPC and data ecosystems from leadership compute to the edge
  • Software and hardware technologies to enhance the science mission

In this workshop we seek to identify stakeholder groups within other DOE program offices whose mission needs intersect the LCF, identify present and future use cases, strategic objectives, and anticipated needs. In particular, we seek to explore the following questions:

  • What are the challenge problems in your mission area that will be dominant in 5-15 years that HPC and data science can help solve?
  • What computational resources do you need? (computational, storage, networking)
  • What existing efforts do you have that utilize HPC? AI/ML? Analysis of large data sets?
  • If you could design the ideal computational infrastructure/ecosystem to address the challenges in your mission space, what would it look like?

Day 1: Monday, June 28

Time (ET) EventLead
11:00–11:05 a.m. Welcome and Introductory RemarksMatt Sieger, ORNL, Deputy Project Director, OLCF
John Turner, ORNL, Program Director, Computational Engineering
11:05–11:20 a.m.ASCR Introductory RemarksBen Brown, SC/ASCR, Director, Facilities Division
Christine Chalk, SC/ASCR, Program Manager, OLCF
11:20–11:40 a.m.LCF Introductory RemarksKatherine Riley, ANL, Director of Science, ALCF
Gina Tourassi, ORNL, Director, National Center of Computational Sciences, OLCF
11:40–12:00 p.m.EERE Introductory RemarksMichael Berube, EERE, Deputy Assistant Secretary for Sustainable Transportation
Kevin Lynn, EERE, Director of Grid Modernization
12:00–12:15 p.m. Q&A/Discussion
12:15–12:30 p.m.East Coast Break (grab lunch if desired)
Time (ET) EventLeads (10-15 min. each)Lightning Speakers (5-10 min. each)
12:30–1:30 p.m.Wind EnergyBen Hallissy, EERE/WETO
Mike Sprague, NREL
Paul Veers, NREL
Rao Kotamarthi, ANL
Ryan King, NREL
Ganesh Vijayakumar, NREL
Yorgos Deskos, NREL
1:30–2:30 p.m.Advanced ManufacturingBob Gemmer, EERE/AMO
Tom Kurfess, ORNL
Santanu Chaudhuri, ANL
Alex Plotkowski, ORNL
Noah Paulson, ANL
Vincent Paquit, ORNL
Stuart Slattery, ORNL
Matt Bement, ORNL
2:30–3:30 p.m.BiofuelsAndrea Bailey, EERE/BETO
Charles Finney, ORNL

Mike Crowley, NREL
Stephen Klippenstein, ANL
Hector Garcia Martin, LBNL
Peter St. John, NREL
Pinaki Pal, ANL
3:30–3:45 p.m.Q&A/Discussion
3:45–4:00 p.m.West Coast Break (grab lunch if desired)
4:00–5:00 p.m.Transportation – VehiclesMike Weismiller, EERE/VTO
Sibendu Som, ANL
Flavio Chuahy, ORNL
Muhsin Ameen, ANL
Brian Kaul, ORNL
Jackie Chen, SNL
5:00–6:00 p.m.Transportation – MobilityDavid Anderson, EERE/VTO
Jibo Sanyal, ORNL
Aymeric Rousseau, ANL
Prasanna Balaprakash, ANL
Jane MacFarlane, LBNL
Yan (Joann) Zhou, ANL

Day 2: Tuesday, June 29 

Time (ET) EventLeads (10-15 min. each)Lightning Speakers (5-10 min. each)
11:00–12:00 p.m.Electric GridGil Bindewald, OE
John Grosh, LLNL
Feng Qui, ANL
Wesley Jones, NREL
Sonny Xue, ORNL
Kibaek Kim, ANL
12:00–12:15 p.m.Q&A/Discussion
12:15–12:30 p.m.East Coast Break (grab lunch if desired)
12:30–2:30 p.m.Solar Energy and Building TechnologiesGuohui Yuan, EERE/SETO
Brian Walker, EERE/BTO
Solar Energy:
Lead: Caleb Phillips, NREL
Shashank Yellapantula, NREL
Henry Huang, PNNL
Manajit Sengupta, NREL

Building Technologies:
Lead: Teja Kuruganti, ORNL
Piljae Im, ORNL
Ralph Muehleisen, ANL
Matthew Reynolds, NREL
Kashif Nawaz, ORNL
2:30–3:30 p.m.Energy StorageEric Hsieh, OE
Venkat Srinivasan, ANL
Michael Starke, ORNL
Rajeev Surendran Assary, ANL
Peter Graf, NREL
Srikanth Allu, ORNL
3:30–3:45 p.m.Q&A/Discussion
3:45–4:00 p.m.West Coast Break (grab lunch if desired)
4:00–5:00 p.m.Carbon ManagementDarren Mollot, FECM
Edgar Lara-Curzio, ORNL

William Rogers, NETL
Shashank Yellapantula, NREL
Kashif Nawaz, ORNL
Sarang Supekar, ANL
5:00–6:00 p.m.Wrap Up Session



Computational Mission Needs in Clean Energy and Manufacturing