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CHEM 870 Tutorial 6b: Binding Energy, DFT, and CO2 Capture II
Online Presentations | 04 Sep 2022 | Contributor(s):: Nicole Adelstein
The main goal of these activities is to calculate the binding energy of CO2 to linker molecules in metal organic frameworks (MOFs). CO2 is a greenhouse gas. One necessary component of combating climate change is removing CO2 from the atmosphere. We will use density functional theory (DFT)...
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CHEM 870 Tutorial 6a: Binding Energy, DFT, and CO2 Capture I
Online Presentations | 20 Dec 2021 | Contributor(s):: Nicole Adelstein
The main goal of these activities is to calculate the binding energy of CO2 to linker molecules in metal organic frameworks (MOFs). CO2 is a greenhouse gas. One necessary component of combating climate change is removing CO2 from the atmosphere. We will use density functional theory (DFT)...
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Vema Reddy Bheeram
Dr. Vema Reddy Bheeram earned his BS degree from Osmania University in 2011 and MS degree in Analytical Chemistry from GITAM University in 2015. He completed his PhD study on Influence of gamma...
https://nanohub.org/members/337514
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Gas Adsorption Calculator
Tools | 11 Jun 2019 | Contributor(s):: Julian C Umeh, Thomas A Manz
Simulates gas adsorption onto metal organic frameworks
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Understanding and Optimizing Exploratory Hydrothermal Reactions
Online Presentations | 22 Jan 2018 | Contributor(s):: Alex Norquist
In this work, an alternative approach that uses machine-learning algorithms trained on reaction data to predict reaction outcomes for the crystallization of templated vanadium selenites is demonstrated. Archived ‘dark’ reactions, both failed and successful attempts at hydrothermal...
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gopal kutta siva
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