Enabling Successful Discovery and Applications
Nanoinformatics 2015 Workshop
Each session is designed for the presentation and discussion of ideas, case studies, accomplishments, objectives and opportunities for the future. Time will be built in for this discussion. We will ask the presenters and the audience to describe topical gaps and needs for collaborative work. The last working session—the “Nanoinformatics Charette”—is geared towards interactions that work to solve specific needs.
Nanoinformatics Tutorial
Half day, afternoon January 26, 2015
12:00-1:00 Registration
- 1:00-1:50 Broad introduction to science informatics and lab automation strategies - Mark Tuominen (National Nanomanufacturing Network, University of Massachusetts)
1:50-2:40 Yoram Cohen (UCLA)
2:40-3:00 Coffee Break
3:00-3:50 ONAMI, Nanoparticle Information Library, Good Nano Guide, Nanomaterial Registry - Mark Hoover (CDC/NIOSH)
3:50-4:40 nanoHub - Gerhard Klimeck (Purdue - NanoHub)
5:30-7:30 Opening Reception - Sponsored by NanoBusiness Commercialization Association, with remarks from Vincent Caprio (NanoBCA)
Workshop - Day 1
January 27, 2015
7:00-8:00 Registration and Breakfast
Session 1: Purpose-driven Nanoinformatics
- 8:00-8:10 Workshop Welcome and Purpose - Stacey Harper and Mark Tuominen
8:10-8:30 "Federal Initiatives on Nanoinformatics" - Lisa Friedersdorf (National Nanotechnology Coordination Office)
8:30-8:50 "Data at NIST: Next Steps Toward Discoverability, Access, and Analysis" - Robert Hanisch (NIST)
8:50-9:00 Discussion
Session 2: Inventory of Nanoinformatics Data and Tools
- 9:00-9:20 "CEINT Nanoinformatics Knowledge Commons: Building research tools to meet the needs of the nano EHS research community"- Greg Lowry (CEINT, Carnagie Mellon University)
9:20-9:40 "The National Cancer Institute (NCI) Nanotechnology Working Group (Nano WG)" - Mervi Heiskanen (NCI Nanotechnology Working Group)
9:40-10:00 "nanoHUB.org: A Home for Scientific Exploration with Simulation Tools and Data Sets" - Michael Zentner (nanoHub)
10:00-10:20 Coffee Break
10:20-10:40 "Uncertainty Quantification within nanoHub" Alejandro Strachan (Purdue University)
10:40-11:00 "Nanomaterials Registry" - Tony Hickey (Nanomaterial Registry)
11:00-11:20 "Nano Bibliometrics" - Alan Porter (Georgia Institute of Technology)
11:20-11:40 "caNanoLab: A collaborative nanomaterial data repository supporting cancer biomedical research" - Stephanie Morris (NIH)
11:40-12:00 Discussion
12:00-1:00 Poster Discussions and Lunch
Session 3: Nanoinformatics for Design of Materials, Manufacturing, and Products
- 1:00-1:20 "Applying Informatics to Autonomy in Experimentation" - Jason Poleski (Lockheed-Martin)
1:20-1:40 "Materials informatics for the discovery and design of 2D materials" - Richard Hennig (University of Florida)
1:40-2:00 "Informatics for Combinatorial Materials Science" - Ichiro Takeuchi (University of Maryland)
2:00-2:20 "Process Modeling and Control in the Nanomanufacturing of 2 and 3-D Nanostructures using Directed Assembly of Nanoparticles" - Ahmed Busnaina and Cihan Yilmaz (Northeastern)
2:20-2:40 "Automatic Information Extraction of Experiments from Nanocrystal devices Development Papers" - Masaharu YOSHIOKA, Thaer Dieb, Shinjiroh HARA (Hokkaido University Japan)
2:40-3:00 Discussion
3:00-3:20 Coffee Break
Session 4: Nanoinformatics for Risk
- 3:20-3:40 "Quantitative Structure-Activity Relationships for Engineered Nanomaterials: Advances and Challenges" - Rong Liu and Yoram Cohen (UCLA)
3:40-4:00 "Informatics Approaches to Advance Risk Estimation in Research, Design, Manufacture and EHS" - Marty Fritts (NIST)
4:00-4:20 "Evaluation of the Information Content in Proposed QSAR Descriptors via Machine Learning Meta-Analysis of In Vivo Nanotoxicity Experiments" - Jeremy Gernand (Pennsylvania State University)
4:20-4:40 Discussion
Poster Presentations and Discussion
6:30 Dinner
Workshop - Day 2
January 28, 2015
7:00-8:00 Breakfast
Session 5: Uncertainty Quantification and Informatics Robustness
- 8:00-8:20 "InterNano: Information Resources for Nanomanufacturing" - Jeff Morse (InterNano, National Nanomanufacturing Network)
8:20-8:40 "Nanoinfo.org: An Integrated Nanoinformatics Web-Portal" - Dennis Bacsafra, Muhammad Bilal, Michelle Romero, Haven Liu, Rong Liu, and Yoram Cohen (UCLA)
8:40-9:00 "Probabilistic Assessment of the Potential Environmental Impact of Engineered Nanomaterials" - Muhammad Bilal, Haven Liu, Rong Liu, and Yoram Cohen (UCLA)
9:00-9:20 Discussion
Session 6: Sharing and Conceptual Integration of Data Elements Across Resources
- 9:20-9:40 "Principles and a conceptual framework for functional data integration" - Mark Hoover (CDC/NIOSH)
9:40-10:00 "Towards a visual taxonomy of nanoparticles" - Victor Maojo, (Universidad Politécnica de Madrid, Spain)
10:00-10:20 Coffee Break
10:20-10:40 "Increasing the Robustness of Nanoinformatics Resources: The CODATA-VAMAS Uniform Description System" – Steven Freiman (CODATA, R&R Data Services)
10:40-11:00 "Evaluation of the Potential Medical Effects of Engineered Nanomaterials in Army Systems" - Mark Widder (US Army Center for Environmental Health Research)
11:00-11:20 Discussion
Nanoinformatics Charette
11:20-3:00 (including Lunch)
The purpose of this culminating half-day session is to directly address timely needs brought up at the workshop. The charette is a “marketplace” where problems meet solutions. The charette session serves as mechanism to set up collaborative efforts that further strengthen the activities of the nanoinformatics community and provide inclusive opportunities for new participants to contribute.
3:00-3:20 Coffee Break
3:20-4:00 Culminating Discussion and Report-out
