Projects per year
Organization profile
The Inorganometallic Catalyst Design Center (ICDC) is an Energy Frontier Research Center funded by the United States Department of Energy. The ICDC is devoted to computationally-guided discovery of a new class of energy-science-relevant catalytic materials and the underlying structure-function relationships that will guide further catalyst discovery. The catalysts determined in the ICDC are intended to be used for natural gas conversion from alkanes to alcohols.
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Network
Profiles
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Melanie F Burns
- Chemistry (Twin Cities) - Consultant/Analyst
- Nanoporous Materials Genome Center - Managing Director
- Inorganometallic Catalyst Design Center - Managing Director
Person: Executive, Administrative, and Managerial Staff, Academic Administrative Staff
Projects
- 1 Finished
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Energy Frontier Research Center For Inorganometallic Catalyst Design (DE-SC0012702)
Gagliardi, L., Cramer, C., Lu, C. C., Penn, L., Stein, A. & Truhlar, D. G.
United States Department of Energy
8/1/14 → 7/31/18
Project: Research project
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Defining the Macromolecules of Tomorrow through Synergistic Sustainable Polymer Research
Haque, F., Ishibashi, J. S. A., Lidston, C. A. L., Shao, H., Bates, F. S., Chang, A. B., Coates, G. W., Cramer, C. J., Dauenhauer, P. J., Dichtel, W. R., Ellison, C. J., Gormong, E. A., Hamachi, L. S., Hoye, T. R., Jin, M., Kalow, J. A., Kim, H. J., Kumar, G., Lasalle, C. J., Liffland, S. & 15 others, , Mar 23 2022, In: Chemical Reviews. 122, 6, p. 6322-6373 52 p.Research output: Contribution to journal › Review article › peer-review
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Nonadiabatic Molecular Dynamics by Multiconfiguration Pair-Density Functional Theory
Calio, P. B., Truhlar, D. G. & Gagliardi, L., Feb 8 2022, In: Journal of Chemical Theory and Computation. 18, 2, p. 614-622 9 p.Research output: Contribution to journal › Article › peer-review
1 Scopus citations -
Stereoregular functionalized polysaccharides via cationic ring-opening polymerization of biomass-derived levoglucosan
Porwal, M. K., Reddi, Y., Saxon, D., Cramer, C., Ellison, C. J. & Reineke, T. M., 2022, (Accepted/In press) In: Chemical Science.Research output: Contribution to journal › Article › peer-review
Open Access
Datasets
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Minnesota Solvation Database (MNSOL) version 2012
Venkatesan, G. A., Marenich, A. V., Kelly, C. P., Thompson, J. D., Hawkins, G. D., Chambers, C. C., Giesen, D. J., Winget, P., Cramer, C. & Truhlar, D. G., Data Repository for the University of Minnesota, 2020
DOI: 10.13020/3eks-j059, http://hdl.handle.net/11299/213300
Dataset