UMD Workshop (June 29-30, 2015)

The current effort to understand the implications of the “Rise of Data in Materials Reseach” began at a 2-day NSF Workshop held on the campus of the University of Maryland (UMD) in College Park, MD during June 29-30, 2015. The workshop was organized by Prof. Ellad Tadmor and Prof. Ryan Elliott from the University of Minnesota and Prof. Ichiro Takeuchi at UMD. Funding was provided by the National Science Foundation (NSF) through Grant DMR-1542923.

The workshop was attended by about 80 leading materials researchers from academia, industry and government with experience in both hard and soft matter and theory, computations and experiments. The meeting was also attended by Linda Sapochak, Alexis Lewis and Daryl Hess from NSF. The Workshop participants were divided into six working groups each tasked with one of the themes related to the impact of data on materials research. (See here for a description of the themes.) Two group members were selected to be Working Group Co-Leaders who gave initial presentations and were responsible for summarizing their Working Group's conclusions following an in-depth discussion. The presentations and working group members follow below.

Workshop Schedule and Presentations

The Workshop was held on Monday and Tuesday June 29-30, 2015. The first day consisted of talks in the morning followed by Working Group discussions in the afternoon. On the second day, the Working Group Co-Leaders presented the conclusions of their Groups on the various topics they discussed. The Workshop schedule is given below along with links to movies showing the presentations slides with the associated audio.

Day 1 (Monday June 29, 2015)

8:00 — 8:15 Ellad Tadmor (U. Minnesota)
Welcome and Workshop Objectives
8:15 — 8:35 Daryl Hess (NSF)
Can we develop a science-infrastructure to do better science and reach new frontiers?
8:35 — 8:50 Tamás Budavári (Johns Hopkins)
Lessons Learnt in Astronomy
8:50 — 10:30 Co-Leader Talks (Themes 1-3)
Theme 1: François Gygi (UC Davis)
Cyberinfrastructure for DFT Electronic Structure Data
Theme 1: Simon Phillpot (U. Florida)
Cyberinfrastructure for Atomistic Materials Science
Theme 2: Aidan Thompson (Sandia)
Enabling Data Infrastructure Creation: Tools and Resources
Theme 2: Paul Dawson (Cornell)
Enabling Data Infrastructure Creation: Incentives
Theme 3: Laura Bartolo (Kent State)
Finding Data in Your Lab and Beyond
Theme 3: Nick Schryvers (U. Antwerp)
Selecting, Storing and Annotating Real Lab Data and Metadata
10:30 — 10:50 BREAK
10:50 — 12:30 Co-Leader Talks (Themes 4-6)
Theme 4: William Curtin (EPFL)
Knowledge from Data: Opening Remarks
Theme 4: Ichiro Takeuchi (U. Maryland)
From Data to Knowledge in High-Throughput Experimentation
Theme 5: Steven Yalisove (U. Michigan)
Science is not Philately
Theme 5: Donald Siegel (U. Michigan)
Rise of Data in Materials Education: Is “Data Awareness” Good Enough?
Theme 6: K. Ravi-Chandar (UT Austin)
Some Preliminary Thoughts on ‘Support from the Top’
Theme 6: Anthony Rollett (Carnegie-Mellon)
Data Mining in Metallurgy via Correlation Analysis
12:30 — 1:30 LUNCH
1:30 — 5:00 Working Group Discussions
6:30 — 8:30 DINNER

Day 2 (Tuesday June 30, 2015)

8:00 — 8:15 Welcome
8:15 — 10:15 Co-Leaders Reports (Themes 1-6)
Theme 1: François Gygi/Simon Phillpot slides+audio
Theme 2: Aidan Thompson/Paul Dawson slides+audio
Theme 3: Laura Bartolo/Nick Schryvers slides+audio
Theme 4: William Curtin/Ichiro Takeuchi slides+audio
Theme 5: Steven Yalisove/Donald Siegel slides+audio
Theme 6: K. Ravi-Chander/Anthony Rollett slides+audio
10:15 — 10:30 BREAK
10:30 — 11:30 Summary and General Discussion
Moderated by Ellad Tadmor
11:30 — 12:00 Wrap-up
11:30 — 12:00 LUNCH to go

Working Group Membership

Theme 1 — Materials Cyberinfrastructures

Working Group 1 Members (Co-Leaders appear in bold)
Alfredo Alexander-Katz (MIT) Richard Hennig (Cornell)
Raymundo Arroyave (TAMU) Ronald Miller (Carleton, Canada)
Stefano Curtarolo (Duke) Simon Phillpot (Co-Leader) (U. Florida)
Giulia Galli (U. Chicago) Betsy Rice (ARL)
Timothy Germann (LANL) Derek Stewart (HGST)
Sanjay Govindjee (UC Berkeley) Alejandro Strachan (Purdue)
François Gygi (Co-Leader) (UC Davis) Ellad Tadmor (U. Minnesota)

Theme 2 — Enabling Infrastructure Creation

Working Group 2 Members (Co-Leaders appear in bold)
Ellen Arruda (U. Michigan) Edward Maginn (Notre Dame)
Ali Asgari (3M) Bryce Meredig (Citrine Informatics)
Noam Bernstein (NRL) Yifei Mo (U. Maryland)
Peter Chung (U. Maryland) KT Ramesh (Johns Hopkins)
Paul Dawson (Co-Leader) (Cornell) Paul Saxe (Materials Design)
Ryan Elliott (U. Minnesota) Graham Sims (National Physical Lab, UK)
Gilad Kusne (NIST) Aidan Thompson (Co-Leader) (Sandia)

Theme 3 — Data Management and Handling

Working Group 3 Members (Co-Leaders appear in bold)
Steven Arnold (NASA) John Rumble (R&R Data Services)
Laura Bartolo (Co-Leader) (Kent State) Nick Schryvers (Co-Leader) (U. Antwerp)
Oleg Borodin (ARL) Frans Spaepen (Harvard)
Catherine Brinson (Northwestern) Aaron Stebner (Colorado School of Mines)
Apurva Mehta (SLAC, Stanford) Charles Ward (AFRL)
Deborah Mies (Granta Design, UK) Terry Wong (Pratt and Whitney)
Thomas Proffen (ORNL)

Theme 4 — Knowledge from Data

Working Group 4 Members (Co-Leaders appear in bold)
Chandler Becker (NIST) Rampi Ramprasad (U. Connecticut)
Curt Breneman (RPI) Mark Robbins (Johns Hopkins)
Tamás Budavári (Johns Hopkins) Sadasivan Shankar (Harvard)
William Curtin (Co-Leader) (EPFL, Switzerland) Talid Sinno (U. Penn)
Jack Douglas (NIST) Stephen Stuart (Clemson)
Huajian Gao (Brown) Bobby Sumpter (ORNL)
Richard James (U. Minnesota) Ichiro Takeuchi (Co-Leader) (U. Maryland)
Timothy Mueller (Johns Hopkins) Jorge Viñals (U. Minnesota)
Steven Plimpton (Sandia)

Theme 5 — Education of Materials Researchers

Working Group 5 Members (Co-Leaders appear in bold)
Marco Fornari (Central Michigan U.) Joshua Schrier (Haverford College)
Sorelle Friedler (Haverford College) Donald Siegel (Co-Leader) (U. Michigan)
Jason Hattrick-Simpers (U. South Carolina) Moneesh Upmanyu (Northeastern)
Surya Kalidindi (Georgia Tech) James Wolter (3M)
Christopher Leighton (U. Minnesota) Steven Yalisove (Co-Leader) (U. Michigan)

Theme 6 — Grassroots Standards and Government Support

Working Group 6 Members (Co-Leaders appear in bold)
Nitin Daphalapurkar (Johns Hopkins) Anthony Rollett (Co-Leader) (Carnegie-Mellon)
Steven Freiman (Freiman Consulting) Jeffrey Saven (U. Penn)
Robert Hanisch (NIST) George Spanos (TMS)
Kenneth Lipkowitz (ONR) Vladan Stevanovic (NREL)
Elsa Olivetti (MIT) James Warren (NIST)
K. Ravi-Chandar (Co-Leader) (UT Austin)