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.
Education/Academic qualification
Chemical Engineering, PhD, University of California, Berkeley
… → 1994
Chemical Engineering, BSE, University of Pennsylvania
… → 1988
Research interests
- Absorption
- Catalysis
- Energy
- Molecular modeling
- Separations
- Sustainability
Fingerprint
- 19 Similar Profiles
Network
Grants
-
Theory-Guided Design and Discovery of Materials for Reversible Methane and Hydrogen Storage
10/1/19 → 2/28/23
Project: Research project
-
Snurr Subproject - Theory-Guided Design and Discovery of Materials for Reversible Methane and Hydrogen Storage
10/1/19 → 2/28/23
Project: Research project
-
Subproject for Institution # SP0049926
Defense Threat Reduction Agency
2/21/19 → 2/20/24
Project: Research project
-
Snurr: Highly Stable and Bifunctional Bio-inspired Catalytic MOFs for Destruction of Chemical Threats
Defense Threat Reduction Agency
12/1/17 → 11/30/21
Project: Research project
-
Nanoporous Materials Genome: Methods and Software to Optimize Gas Storage, Separations, and Catalysis
University of Minnesota, Department of Energy
9/1/12 → 8/31/21
Project: Research project
Research Output
-
Inverse design of nanoporous crystalline reticular materials with deep generative models
Yao, Z., Sánchez-Lengeling, B., Bobbitt, N. S., Bucior, B. J., Kumar, S. G. H., Collins, S. P., Burns, T., Woo, T. K., Farha, O. K., Snurr, R. Q. & Aspuru-Guzik, A., Jan 2021, In: Nature Machine Intelligence. 3, 1, p. 76-86 11 p.Research output: Contribution to journal › Article › peer-review
1 Scopus citations -
Comparing GGA, GGA+U, and meta-GGA functionals for redox-dependent binding at open metal sites in metal-organic frameworks
Rosen, A. S., Notestein, J. M. & Snurr, R. Q., Jun 14 2020, In: Journal of Chemical Physics. 152, 22, 224101.Research output: Contribution to journal › Article › peer-review
Open Access -
Computational Predictions and Experimental Validation of Alkane Oxidative Dehydrogenation by Fe2M MOF Nodes
Barona, M., Ahn, S., Morris, W., Hoover, W., Notestein, J. M., Farha, O. K. & Snurr, R. Q., Jan 17 2020, In: ACS Catalysis. 10, 2, p. 1460-1469 10 p.Research output: Contribution to journal › Article › peer-review
16 Scopus citations -
Computational Screening of Metal-Organic Framework-Supported Single-Atom Transition-Metal Catalysts for the Gas-Phase Hydrolysis of Nerve Agents
Mendonca, M. L. & Snurr, R. Q., Jan 17 2020, In: ACS Catalysis. 10, 2, p. 1310-1323 14 p.Research output: Contribution to journal › Article › peer-review
8 Scopus citations -
DFT Study on the Catalytic Activity of ALD-Grown Diiron Oxide Nanoclusters for Partial Oxidation of Methane to Methanol
Barona, M., Gaggioli, C. A., Gagliardi, L. & Snurr, R. Q., Feb 27 2020, In: Journal of Physical Chemistry A. 124, 8, p. 1580-1592 13 p.Research output: Contribution to journal › Article › peer-review