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Schrödinger Materials Science AutoQSAR for Machine Learning
Tools | 11 Sep 2023
Build quantitative structure-activity relationships (QSAR) automatically for molecular systems with Schrödinger's AutoQSAR tool
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Olusegun Odunayo Felix
https://nanohub.org/members/410227
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José Ignacio Fernande
https://nanohub.org/members/288350
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Catalytic Converters and Nanocatalysts
Teaching Materials | 12 Jan 2020 | Contributor(s):: Cheryl Powers, NNCI Nano
This two part lesson with an optional third lesson is designed to explore the reactions involved in catalytic converters and the importance of nanocatalysts in the reactions. Student activities can be done as guided or independent inquiry
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Flores Tomas Adrian
Chemist by Facultad de Química-UNAM.
https://nanohub.org/members/232329
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3 min. Research Talk: Computational Catalysis - Creating a User-Friendly Tool for Research and Education
Online Presentations | 31 Jan 2019 | Contributor(s):: Kevin Greenman
Heterogeneous catalysis is used in a significant portion of production processes in the industrialized world, which makes maximizing the efficiency of catalysts a high priority. However, the immense number of candidates for new catalysts precludes the possibility of testing all of them by...
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Computational Catalysis with Density Functional Theory
Presentation Materials | 08 Aug 2018 | Contributor(s):: Kevin Greenman, Peilin Liao
Heterogeneous catalysis is used in a significant portion of production processes in the industrialized world, which makes maximizing the efficiency of catalysts a high priority. However, the immense number of candidates for new catalysts precludes the possibility of testing all of them by...
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Computational Catalysis with DFT
Tools | 01 Aug 2018 | Contributor(s):: Kevin Greenman, Peilin Liao
DFT tool for studying heterogeneous catalysis
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Lili Arreguin
Chemist. Nanoscience M.Sc. In progress.
https://nanohub.org/members/171374
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Tailoring Biomass to Fit the Biofuels Pipeline
Online Presentations | 10 Oct 2016 | Contributor(s):: Maureen McCann, Nicholas C. Carpita
Second-generation biofuels will be derived from lignocellulosic biomass using biological catalysts to convert the carbon in plant cell wall polysaccharides to ethanol or other biofuels. The Center for Direct Catalytic Conversion of Biomass to Biofuels (C3Bio) is a DOE-funded Energy Frontier...
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Peilin Liao
Peilin Liao obtained her undergraduate degree in chemistry from Peking University, China, in 2006. She received her Ph.D. in chemistry from Princeton University in 2012. She served as postdoctoral...
https://nanohub.org/members/151189
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[Illinois] Metal and Semiconductor Nanoparticles Supported on Graphene for Energy Conversion and Heterogeneous Catalysis
Online Presentations | 17 Dec 2013 | Contributor(s):: M. Samy El Shall
Graphene has attracted great interest for a fundamental understanding of its unique structural and electronic properties and also for important potential applications in nanoelectronics and devices. The combination of highest mobility, thermal, chemical, and mechanical stability with the high...
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Matt Schneider
https://nanohub.org/members/66808
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Louis Bouchard
Dr. Bouchard obtained a bachelor's degree in physics and business management from McGill University in Montréal, Canada, a Master's degree in medical biophysics from the University of Toronto and a...
https://nanohub.org/members/64697
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Surface structure and composition of high-surface-area molybdenum nitrides
Papers | 02 Feb 2012 | Contributor(s):: Brian Demczyk, j. G. Choi, L. T. Thompson
In this work, we have employed high-resolutiontransmission electron microscopy coupled with Fourier analysis, and X-ray photoelectron spectroscopy todetermine the near-surface structures and compositions of a series of molybdenum nitride catalysts.
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Lucas Blandón
https://nanohub.org/members/54550
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Ernesto Marinero
https://nanohub.org/members/28203