Grants per year
Personal profile
Research Interests
Professor Snurr’s research group focuses on adsorption, diffusion, and catalysis in nanoporous materials. They are interested in novel materials such as metal-organic frameworks (MOFs), as well as traditional materials such as zeolites that are already widely used in industry. Porous materials with well-controlled structures at the nanoscale can be extremely useful because of their ability to recognize and discriminate between adsorbed molecules. This leads to applications of nanoporous materials in adsorption separations, catalysis, membrane processes, sensing, and energy storage.
Most of the projects in his group are aimed at solving problems related to energy and sustainability. Examples include development of materials to store hydrogen for fuel cell vehicles, development of materials for capturing carbon dioxide from power plant flue gas (carbon capture and sequestration), development of energy-efficient separations, and development of highly selective catalysts for green chemistry processes.
To address these problems, they use powerful molecular modeling techniques. Their goal is to develop a better understanding of surface interactions and dynamics in nanoporous materials and to exploit this molecular-level information to develop new, highly-selective processes in adsorption separations, catalysis, and energy storage. Another goal of their research is to develop new simulation methods that can handle an ever-broader range of time and length scales to address important problems that cannot be simulated with current techniques. They also collaborate closely with experimental research groups.
Expertise related to UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
Education/Academic qualification
Chemical Engineering, PhD, University of California at Berkeley
… → 1994
Chemical Engineering, BSE, University of Pennsylvania
… → 1988
Research interests keywords
- Absorption
- Catalysis
- Energy
- Molecular modeling
- Separations
- Sustainability
Fingerprint
- 1 Similar Profiles
Collaborations and top research areas from the last five years
-
High-throughput Computational Workflow for Designing Effective Materials for Water Purification
Snurr, R. Q. (PD/PI) & Snurr, R. Q. (PD/PI)
Underwriters Laboratories Inc.
9/15/24 → 9/14/28
Project: Research project
-
Development of Machine Learning and Molecular Simulation Approaches to Accelerate the Discovery of Porous Materials for Energy-Relevant Applications
Snurr, R. Q. (PD/PI) & Snurr, R. Q. (PD/PI)
University of Minnesota, Department of Energy
9/1/22 → 8/31/25
Project: Research project
-
Collaborative Research: DMREF: GOALI: Discovering Materials for CO2 Capture in the Presence of Water via Integrated Experiment, Modeling, and Theory
Snurr, R. Q. (PD/PI) & Snurr, R. Q. (PD/PI)
9/1/21 → 8/31/25
Project: Research project
-
Coordination-Chemistry-Derived Materials Featuring Nanoscale Porosity and Selective Chemical Separation Capabilities (Snurr subproject)
Snurr, R. Q. (PD/PI), Snurr, R. Q. (PD/PI) & Snurr, R. Q. (PD/PI)
5/1/08 → 7/31/25
Project: Research project
-
Coordination-Chemistry-Derived Materials Featuring Nanoscale Porosity and Selective Chemical Separation Capabilities
Hupp, J. T. (PD/PI), Hupp, J. T. (PD/PI), Hupp, J. T. (PD/PI), Farha, O. K. (Co-PD/PI), Farha, O. K. (Co-PD/PI), Farha, O. K. (Co-PD/PI), Nguyen, S. (Co-PD/PI), Nguyen, S. (Co-PD/PI), Nguyen, S. (Co-PD/PI), Snurr, R. Q. (Co-PD/PI), Snurr, R. Q. (Co-PD/PI) & Snurr, R. Q. (Co-PD/PI)
5/1/08 → 7/31/25
Project: Research project
-
CoRE MOF DB: A curated experimental metal-organic framework database with machine-learned properties for integrated material-process screening
Zhao, G., Brabson, L. M., Chheda, S., Huang, J., Kim, H., Liu, K., Mochida, K., Pham, T. D., Prerna, Terrones, G. G., Yoon, S., Zoubritzky, L., Coudert, F. X., Haranczyk, M., Kulik, H. J., Moosavi, S. M., Sholl, D. S., Siepmann, J. I., Snurr, R. Q. & Chung, Y. G., Jun 4 2025, In: Matter. 8, 6, 102140.Research output: Contribution to journal › Article › peer-review
2 Scopus citations -
Diffusion in nanoporous materials with special consideration of the measurement of determining parameters (IUPAC Technical Report)
Kärger, J., Valiullin, R., Brandani, S., Caro, J., Chmelik, C., Chmelka, B. F., Coppens, M. O., Farooq, S., Freude, D., Jobic, H., Kruteva, M., Mangano, E., Pini, R., Price, W. S., Rajendran, A., Ravikovitch, P. I., Sastre, G., Snurr, R. Q., Stepanov, A. G. & Vasenkov, S. & 2 others, , Jan 1 2025, In: Pure and Applied Chemistry. 97, 1, p. 1-89 89 p.Research output: Contribution to journal › Article › peer-review
Open Access5 Scopus citations -
Exceeding flexpectations: a combined experimental and computational investigation of structural flexibility in 3-dimensional linker-based metal-organic frameworks
Smoljan, C. S., Formalik, F., Barsoum, M. L., Fahy, K. M., Gaidimas, M. A., Son, F. A., Xie, H., Idrees, K. B., Farha, O. K. & Snurr, R. Q., Feb 10 2025, In: Chemical Science. 16, 11, p. 4831-4841 11 p.Research output: Contribution to journal › Article › peer-review
Open Access -
Experimental and theoretical investigation of hydrogen sorption by SnO2 nanostructures in a metal–organic framework scaffold
Goncalves, R. B., Chen, Z., Chapman, K. W., Snurr, R. Q. & Hupp, J. T., 2025, (Accepted/In press) In: Molecular Physics. e2499204.Research output: Contribution to journal › Article › peer-review
-
Hydrolytically Stable Phosphonate-Based Metal–Organic Frameworks for Harvesting Water from Low Humidity Air
Xie, H., Atilgan, A., Joodaki, F., Cui, J., Wang, X., Chen, H., Yang, L., Zhang, X., Son, F. A., Idrees, K. B., Wright, A. M., Wells, J. L., Morris, W., Klein, J., Franklin, L., Harrington, F., Herrington, S., Han, S., Kirlikovali, K. O. & Islamoglu, T. & 2 others, , 2025, (Accepted/In press) In: Small.Research output: Contribution to journal › Article › peer-review
1 Scopus citations
Datasets
-
Dataset for "Single-Step Selective Oxidation of Methane by Iron-Oxo Species in the Metal-Organic Framework MFU-4l"
Melix, P. (Contributor) & Snurr, R. Q. (Contributor), ZENODO, Jul 6 2022
DOI: 10.5281/zenodo.6802056, https://zenodo.org/records/6802056
Dataset
-
CCDC 2309245: Experimental Crystal Structure Determination
Rosen, A. S. (Contributor), Mian, M. R. (Contributor), Islamoglu, T. (Contributor), Chen, H. (Contributor), Farha, O. K. (Contributor), Notestein, J. M. (Contributor) & Snurr, R. Q. (Contributor), Cambridge Crystallographic Data Centre, 2023
DOI: 10.5517/ccdc.csd.cc2hhysr, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2hhysr&sid=DataCite
Dataset
-
Supplementary Data for "Identifying Promising Metal−Organic Frameworks for Heterogeneous Catalysis via High-Throughput Periodic Density Functional Theory"
Rosen, A. S. (Contributor), Notestein, J. M. (Contributor) & Snurr, R. Q. (Contributor), ZENODO, Oct 23 2018
DOI: 10.5281/zenodo.3489010, https://zenodo.org/record/3489010
Dataset
-
CCDC 1006692: Experimental Crystal Structure Determination
Kennedy, R. D. (Creator), Clingerman, D. J. (Creator), Morris, W. (Creator), Wilmer, C. E. (Creator), Sarjeant, A. A. (Creator), Stern, C. L. (Creator), O'Keeffe, M. (Contributor), Snurr, R. Q. (Creator), Hupp, J. T. (Creator), Farha, O. K. (Creator) & Mirkin, C. A. (Creator), Cambridge Crystallographic Data Centre, 2014
DOI: 10.5517/cc12sjyb, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/cc12sjyb&sid=DataCite
Dataset
-
CCDC 983541: Experimental Crystal Structure Determination
Gutov, O. V. (Creator), Bury, W. (Creator), Gomez-Gualdron, D. A. (Creator), Krungleviciute, V. (Creator), Fairen-Jimenez, D. (Creator), Mondloch, J. E. (Creator), Sarjeant, A. A. (Creator), Al-Juaid, S. S. (Creator), Snurr, R. Q. (Creator), Hupp, J. T. (Creator), Yildirim, T. (Creator) & Farha, O. K. (Creator), Cambridge Crystallographic Data Centre, 2014
DOI: 10.5517/cc120g4p, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/cc120g4p&sid=DataCite
Dataset