BER Agenda

Agenda in PDF format (118 KB).

Monday, March 28

19:00 ** Chairs and Leads Pre-Meeting ** – Wilson Room

Tuesday, March 29

Time Topic Speaker
7:30 Registration, Refreshments
8:30 Welcome & Introductions Steve Binkley, ASCR; Sharlene Weatherwax, BER
8:40 Genesis of this Meeting Barb Helland, ASCR
9:15 Welcome & View from Biological and Environmental Research Todd Anderson and Gary Geernaert, BER; Dorothy Koch, Ramana Madupu, BER
9:45 View from ESnet  Eli Dart, ASCR
10:00 Exascale Review Introductions Chairs and Session Leaders
10:30 Break
10:45 ASCR Computing Facilities Presentation Katherine Riley
12:00 Working Lunch — Charge to Working Groups   Chairs and Session Leaders
1:00 Breakout Sessions – Climate
Climate and Environmental Science in the Exascale era Ruby Leung
What are the grand challenges for Climate and Environmental Science in the 5-10 year timeframe?
What are limiting factors to achieving results?
How would a 100x improvement in computational capabilities enhance research?
Dave Randall and Bill Collins
2:00 Component-specific science and challenges Ruby Leung
Atmospheric research Minghua Zhang and Bill Gustafson
Terrestrial research  Peter Thornton and Dave Moulton
Oceans and cryospheric research  Todd Ringer and Wieslaw Maslowski
2:00 Biology
From Sequence to Models of Organisms and Communities. Dan RokhsarRich Bonneau
 From sequence to molecular structure and function  Dan Rokhsar, Yang Zhang, Iddo Friedberg, Ingo Ruczinski 
 Integrative modeling of cells and networks Ilias Tagkopoulos, Marcus Covert, Vassily Hatzimanikatis, Rich Bonneau, Kerstin Kleese Van Dam
 3:30  Discussions of sessions and white paper tuning
 4:00  Break
 4:15  Q&A Session with the BER and ASCR Associate Directors
 5:30  Breakout leads present key questions and issues discussed in each session

Wednesday, November 4

Time Topic Speaker
8:00 Check-in
8:30 Summary from the chairs, outline of report
 9:00 Breakout Sessions: Climate
Coupled System Integration Challenges (3 hours; 1 hour in plenary, 2 hours in breakout). Leader: Collins
Working toward frameworks and hierarchies of modeling, e.g. ESM-IA-IAV parallel breakouts on:
1. ESMs.
2. IA models.

Leaders: Phil Jones and Nathan Urban

Leaders: Kate Calvin and Andy Jones

Breakout Sessions: Biology
Big Data for Knowledge Discovery in Biology.  Leaders: Kathy Yelick and Eoin Brodie
Big Data applications and challenges across scales

  1. Assembly: Extreme scale metagenomic assembly (Buluc) 10 min
  2. Multi-omics in complex environments: Metagenomics and proteomics of soil (Pan) – 10 min
  3. Single cells- Big data: Understanding and utilizing cellular variability (Yosef) – 10 min
  4. Discussion – 10 min
Combinatorial Analysis

  1. Integration of multi-omics and interaction data for predictive modeling and analytics (Tagkopolos) – 10 min
  2. Combinatorial Applications for Systems Biology (Jacobson) – 10 min
  3. BigData For Knowledge Discovery in Biology & Multiscale simulation of Biophysical Processes from Molecules to Biological Interfaces (Brown) – 10 min
Microbes to Environment (Tim Scheibe & Lee Ann McCue)
  1. Brief overview/summary of the white papers, set goals of the session
  2. Flash talks from the participants (session participants)
10:30 Break
 10:40 Group discussion:
Multiscale modeling approaches and challenges to link molecular and microbial scale data to predictive models at higher scales:

  • Algorithm and code development requirements
  • Uncertainty quantification requirements
  • Hardware requirements
 12:00 Lunch
1:00 Breakout Sessions: Climate
Computational Issues for Climate and Environment. Leader: Mark Taylor
(3 hours in 3 parallel sessions, 1h per subtopic in parallel sessions).
Hour 1: Modeling climate and the environment with Exascale architectures. 3 parallel breakouts:
a. Algorithms. Leader: Kate Evans
b. Programming models. Leader: Esmond Ng
c. Software engineering for portability. Leader: Pat Worley and Rob Jacob
Hour 2: Unlocking scientific knowledge within Exabytes of data. 3 parallel breakouts:
a. Large-scale heterogeneous data management. Leader: Dean Williams
b. Observational data processing: retrieval algorithms, instrument network simulation. Leader: Pavlos Kollias
c. Data Reduction and Analytics of observations and model results. Leader: Bert Debusschere
i. UQ, statistics, emulators
ii. Data analytics of model-observation comparisons
Hour 3: Data-Model Fusion. 2 parallel breakouts:
a. Model development test beds. Leader: Hsi-Yen Ma
b. Data Assimilation, Model Initialization and Reanalysis. Leader: Gil Compo


Breakout Room 1 Breakout Room 2 Breakout Room 3
Hour 1 Algorithms (1a) Observational Data processing (2b) Data Management (2a)
Hour 2 Programming Models (1b) (no breakout) Testbeds (3a)
Hour 3 SE for portability (1c) UQ (2c) Data Assimilation (3b)
1:00 Breakout Sessions: Biology
Multiscale Simulation of Biological Processes from Molecules to Biological Interfaces. Leaders: Jeremy Smith and Matt Jacobson
Overview of Scientific and Computational Challenges and Opportunities Leaders: Smith and Jacobson
1:10 Lightning Talks, 5 minutes each. Speakers: Margaret Cheung, Michael Crowley, Xiaolin Cheng, Loukas Petridis, Sergio Wong, Gnana Gnankaran, Ron Dror, Leslie Loew, Roland Schulz, Marat Valiev
2:00 Deep Dive on Selected Topics from Whitepapers and Case Studies
3:30 Cross-cutting Requirements and Complementarity with Other Topics
4:00 Break
4:20 Reports on Wednesday Breakouts, Breakout Leads, 15 minutes each
4:20 Summary and Thanks from Chairs

Thursday, November 5

All Day: ** Co-chairs, Leads, Writers meet to continue working on report **