Center for Hierarchical Materials Design

              

NSFNIST


SAVE-THE-DATE:
2017 Summit on Data & Analytics for Materials Research | SEPTEMBER 25-27, 2017


WORKSHOP 3

2016 CHiMaD Materials Data & Analytics for Materials Research Summit

October 31- November 2, 2016 (Northwestern University)

You can download a copy of the list of participants and observers here. 

A listing of the members of the Steering and Organizing Committess is available here.

Data Summit

AGENDA

Day 1: Monday, October 31

Broad view for entire materials community

8:45 AM  -  8:50 AM  Peter Voorhees, Northwestern U, Welcome  

8:50 AM  -  9:00 AM  James Warren, NIST, Welcome

9:00 AM  -  10:45 AM Keynote Materials Talks

Innovations in Materials Design, Moderator: Ian Foster, University of Chicago

Greg Olson, Northwestern University  Speaker  Bio  |  Presentation

Juan de Pablo, University of Chicago  Speaker  Bio  |  Presentation  

Data Curation

Moderator: Chandler Becker, NIST

John Allison, University of Michigan  Speaker  Bio  

Claudia Draxl, Humboldt University of Berlin Speaker  Bio Presentation

11:00 AM- 12:45 PM   Keynote Materials Talks

Materials Analytics, Moderator: Emine Gulsoy, CHiMaD/Northwestern University

Elizabeth Holm, Carnegie Mellon University  Speaker  Bio  |  Presentation

Jed Pitera, IBM  Speaker  Bio | Presentation

Education, Workforce Development, Diversity, & Industry,

Moderator: Marius Stan, Argonne National Laboratory 

Katsuyo Thornton, University of Michigan  Speaker  Bio   |  Presentation

Alejandro Strachan, Purdue University   Speaker  Bio    | Presentation 

1:00 PM -  1:45 PM     Lunch

2:00 PM -  3:00 PM     Keynote Materials Talks

Sustainability, Public/Private Partnerships, & Industry

Moderator: Ben Blaiszik, University of Chicago

David Furrer, Pratt & Whitney Speaker  Bio  |  Presentation

Bryce Meredig, Citrine  Speaker  Bio Presentation

3:15 PM – 5:00 PM    Hands-on Materials Data Demos/Exhibits & Kickoff Reception

Exhibitors:  ASM, Citrine, MagPie, Materials Data Facility,Materials Resource Registry, Materials Data Curator System,

National Data Services, NanoHub, NanoMine, NIMS MatNavi,NoMaD, OQDB

Day 2: Tuesday, November 1

Targeted views for Panels & Working Groups

9:30 AM  -  11:00 AM Challenges in Data Design for Emerging Reconfigurable Soft Materials

Moderator: Juan de Pablo, University of Chicago,  Speaker  BioPresentation

Marcus Müller, University of Göttingen,  Speaker  Bio  |  Presentation

Christopher Spadaccini, Lawrence Livermore National Laboratory Speaker  Bio  | Presentation 

Alexander Hexemer, Lawrence Berkeley National Laboratory Speaker  Bio  |  Presentation

11:15 AM – 1:00 PM (Parallel sessions)

Panel 1: Education, Workforce Development, Diversity & Industry

Moderator: Ricardo Kiyohiro Komai, Northwestern University

Panelists: Emine Gulsoy, CHiMaD/ Northwestern; Elif Ertekin, U of Illinois; Larry Berardinis, ASM for Tom Searles, Materials Data Management/Granta Design

WG 1:  Overview of Materials Data Curation Tools

Leads: Carelyn Campbell, Ben Blaiszik, Laura Bartolo | C. Campbell Report Out Presentation

1:30 PM -  2:30 PM     Lunch

2:30 PM -  4:30 PM     (Parallel sessions)

Panel 2:  Sustainability, Public/Private Partnerships, & Industry

Moderator: Jason Sebastian, Questek

Panelists: Ian Foster, U of Chicago; Bryce Meredig, Citrine; Arno Merkle, Zeiss; Charles Ward, AFRL

WG 2: International Federation of Materials Resource Registries

Lead: Chandler Becker (NIST)|  Presentation

4:30 PM – 5:30 PM     Materials Research Posters

Day 3: Wednesday November 2 (Wrap Up/Closing)

9:00AM - 11:00AM     (Parallel sessions)     

Panel 3: Introduction to Materials Analytics Introduction & Current Efforts:

Introduction:  Ankit Agrawal, Northwestern University          

Panelists: Turab Lookman, Los Alamos National Laboratory;

Amanda Petford-Long, Argonne National Laboratory

WG 3: Refine preliminary Materials Data Schemas

Moderators: Carelyn Cambell Presentation/ Zach Trautt, NIST / Presentation

Atom Probe

Mechanical Processing/Thermomechanical Processing (metallic)

Phase Diagram

Polymer

11:00AM -  11:15 AM Break

11:15 PM -  12:30PM  Report outs by all Panels & WGs / Summit Closing Session, Peter Voorhees & Carelyn Campbell

Presentation | Presentation | Presentation


WORKSHOP 2

CHiMaD Buiding an Interoperable Materials Data Infrastructure Workshop

May 2, 2016 (CHiMaD Headquarters)

You can download a copy of the final agenda and list of participants and observers here.

CHiMaD Building and Interoperable Materials Infrastructure Workshop

The CHiMaD Building an Interoperable Materials Data Infrastructure Workshop brought together researchers involving major computational and experimental materials data projects in answering two key questions:

  • Are we ready to start assembling, from many diverse pieces, a distributed materials data infrastructure that will bring mutual benefit for the U.S. materials community as well as the individual projects involved?
  • If so, then what must be done to achieve such connectivity? Can we plan some concrete, low-barrier next steps to reach greater interconnectivity? 

Representative observers from the funding agencies (DOD, DOE, NIST, NSF, ONR) of the National Science and Technology Council (NSTC) Committee on Technology's Subcommittee of the Materials Genome Initiative (SMGI) were present at the event.

The Workshop began with brief updates from projects and then broke into four discussion groups to consider particular aspects of: 1) materials design research, 2) tools & services, 3) infrastructure, and 4) interoperability. Each group also discussed identifying concrete, actionable, low-barrier next steps.

Presentations:

Building an Interoperable Materials Data Infrastructure & Materials Data Facility
Ian Foster (University of Chicago / Argonne National Laboratory)

nanoHUB
Gerhard Klimick (Purdue University)

HUBzero
Michael Zentner (Purdue University)

Materials Project
Qimin Yan (Lawrence Berkeley National Laboratory)

Materials Data Curation System
Sharief Youssef (National Institute of Standards and Technology)

Materials Commons
Brian Puchala (University of Michigan)

National Data Service
Kenton McHenry (National Center for Supercomputing Applications)

ICE System
Matt Jacobsen (Air Force Research Laboratory)

Citrine Informatics
Bryce Meredig (Citrine Informatics)

Materials Simulation Toolkit (MAST)
Tam Mayeshiba (University of Wisconsin)

Open Quantum Materials Database (OQMD)
Vinay Hedge and Logan Ward (Northwestern University)

Harvard Clean Energy Project
Alan Aspuru-Guzik (Harvard University)

AFLOWLIB
Cormac Toher (Duke University)

Timely and Trusted Curation/Coordination (T2C2)
Steve Konstanty (University of Illinois)

Two-Dimensional Crystal Consortium (2DCC-MIP)
Vin Crespi (Pennslyvania State University)

Analysis, Discovery of Interface Materials (PARADIM-MIP)
Lynn Rathbun (Cornell University)

Midwest Integrated Center for Computational Materials (MICCoM)
Marco Giovoni (Argonne National Laboratory)

Materials Resource Registry
Ray Plante (National Institute of Standards and Technology)

Working Group Presentations

Group 1: Materials Research

Group 2: Tools and Services

Group 3: Infrastructure

Group 4: Interoperability

Low-barrier Next Steps Presented at the Workshop

Development of modular data models for materials science as part of the Materials Data Curation System User Community (Available now)
URL:http://mdcs-community.github.io/
Contact: NIST: Zachary Trautt (zachary.trautt@nist.gov)

The NIST Materials Resource Registry software soon to be publicly available on NIST and CHiMaD/MDF (Available Summer 2016)
Contacts: NIST MRR & software: Sharief Youssef (sharief.youssef@nist.gov)
               MDF instance: Ben Blaiszik (blaiszik@uchicago.edu)


Materials Data Curator System Training

May 3, 2016 (CHiMaD Headquarters)


Materials Data Curator Workshop 

March 2, 2016 (NIST) 


WORKSHOP 1

CHiMaD Data, Database & Discovery Workshop I

January 25-26, 2016 (CHiMaD Headquarters)

You can download a copy of the final agenda here.

A list of attendees is available here.

Available presentations:

National Data Services & Midwest Big Data Hub
Ed Seidel

Materials Data Facility
Ian Foster

Working Group I: Infrastructure

Working Group II: Experimental Data

Working Group III: Polymer Nanocomposites Data

Working Group IV: Natural Language Processing (NLP)

Working Group V: DFT

Working Group VI: Building CALPHAD Proto-databases