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Integrating Crystallographic and Computational Approaches to Carbon-Capture Materials for the Mitigation of Climate Change
NIST hosted a workshop “Integrating crystallographic and computational approaches to carbon-capture materials for the mitigation of climate change” at the National Cybersecurity Center of Excellence in Rockville, Maryland, October 31 – November 1, 2023 from 8:30 a.m. to 5:00 p.m.
The continual rise in anthropogenic CO2 concentration and its effect on climate change call for the implementation of carbon capture technologies to reduce the CO2 concentration in the atmosphere. Porous solid sorbents, including metal-organic frameworks (MOFs), are feasible candidates for gas capture and storage, but a significant bottleneck in developing advanced sorbents lies in determining their structures. The existing difficulties can be overcome by integrating crystallographic methods and theoretical modeling. This workshop provided a forum for experimentalists and theorists from academia, government, and industry who are working on the structural aspects of CO2 capture and sequestration materials to review the current state of the art in this field and discuss opportunities for collaborative research required to develop tools for rapid determination of the structures of porous solid sorbents and the effect of structure on the carbon capture performance.
List of Speakers:
- Jason Benedict, SUNY Buffalo
- Yu-Sheng Chen, U. of Chicago and NSF’s ChemMatCARS
- Felipe Gandara, Spanish National Research Council
- Christopher Hendon, U. of Oregon
- David Keen, U. K. Science and Technology Facilities Council (STFC)
- Ute Kolb, Johannes Gutenberg University, Mainz
- Lan Li, Boise State University
- Taner Yildirim, NIST Gaithersburg
- Shengqian Ma, U. North Texas
- William Morris, NuMat
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Aditya Nandy , U. Chicago
- Peter Ravikovitch, ExxonMobil
- Tomce Runcevski, Southern Methodist U.
- Mustapha Soukri, RTI International
- Anuroop Sriram, Meta
- Chris Wilmer, U. Pittsburgh
- Wei Zhou, NIST Gaithersburg
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Jan Steckel, Department of Energy, National Energy Technology Laboratory
Agenda
Integrating Crystallographic and Computational Approaches to Carbon-Capture Materials for the Mitigation of Climate Change
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October 30, Evening Before |
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Start Time |
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6:00 pm |
Reception at Rockville Sheraton (Full registration required) |
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Day 1: October 31, 2023 |
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Start Time |
End Time |
Speaker(s) |
Session Name/Information |
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8:15 am |
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Hotel Shuttle Departs Rockville Sheraton for Drop off at NIST NCCoE |
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8:30 |
9:00 |
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Arrival and check in |
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9:00 |
9:05 |
Eric Cockayne, NIST |
Welcome |
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9:05 |
9:15 |
Anna Sberegaeva, NIST |
Opening remarks |
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Session 1: Complex Porous Structure Diffraction |
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9:15 |
9:45 |
Tomce Runcevski, Southern Methodist University |
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9:45 |
10:15 |
Ute Kolb, Johannes Gutenberg University, Mainz |
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10:15 |
10:40 |
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Coffee break |
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10:40 |
11:10 |
Jason Benedict, University at Buffalo SUNY |
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Session 2: Structure Prediction and Modeling |
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11:10 |
11:40 |
Christopher Hendon, U. Oregon |
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11:40 a.m |
12:10 p.m. |
Chris Wilmer, University of Pittsburgh |
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12:10 |
1:10 |
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LUNCH |
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1:10 |
1:40 |
Janice Steckel, National Energy Technology Laboratory |
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1:40 |
2:10 |
Aditya Nandy, University of Chicago |
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2:10 |
2:15 |
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break |
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2:15 |
2:45 |
Taner Yildirim, NIST |
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Session 3: Industrial Perspective on the Structure of Porous Materials |
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2:45 |
3:15 |
Peter Ravikovitch, ExxonMobil Technology and Engineering Company |
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3:15 |
3:40 |
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Coffee Break |
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3:40 |
4:10 |
Mustapha Soukri, RTI International |
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4:10 |
4:40 |
William Morris, Numat |
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4:40 |
4:55 |
Tomce Runcevski |
Day 1 summary remarks |
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5:15 |
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Hotel Shuttle Departs NCCoE for Sheraton Rockville |
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Day 2: November 1, 2023 |
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Start Time |
End Time |
Speaker(s) |
Session Name/Information |
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8:15 a.m. |
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Hotel Shuttle Departs Sheraton Rockville for NIST NCCoE |
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8:30 |
8:50 |
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Arrival |
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8:50 |
9:00 |
Eric Cockayne, NIST |
Announcements |
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Session 4: Combined Computational and Experimental Approaches |
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9:00 |
9:30 |
David Keen, STFC Rutherford Appleton Laboratory |
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9:30 |
10:00 |
Wei Zhou, NIST |
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10:00 |
10:30 |
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Coffee break |
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10:30 |
11:00 |
Lan Li, Boise State University |
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Session 5: Future Directions and Priorities |
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11:00 |
11:30 |
Felipe Gandara Barragan, Materials Science Institute of Madrid- Spanish National Research Council |
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11:30 |
12:00 p.m. |
Shengqian Ma, University of North Texas |
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12:00 p.m. |
1:00 |
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Lunch |
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1:00 |
1:30 |
Yu-Sheng Chen, University of Chicago |
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1:30 |
2:00 |
Anuroop Sriram, Meta Platforms |
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2:00 |
2:10 |
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break |
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2:10 |
3:10 |
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Discussion Session 1: Advancing Metrology of Carbon-Capture Materials |
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3:10 |
3:40 |
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Coffee break |
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3:40 |
4:40 |
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Discussion Session 2: Integrating Crystallographic and Computational Analysis of Carbon-Capture Materials |
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4:40 |
4:50 |
Eric Cockayne, NIST |
Closing remarks |
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5:15 |
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Hotel Shuttle Departs NCCoE for Sheraton Rockville |
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6:00 |
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Banquet at Sheraton Rockville (Full registration required) |
Sheraton Rockville
Address: 920 King Farm Blvd, Rockville, MD 20850
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