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A list of all the posts and pages found on the site. For you robots out there is an XML version available for digesting as well.
Pages
About me
About me
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Posts
Safe drinking water in China Part 2: a comparison of water quality in Lishui and Hangzhou (China) with London (UK)
Published:
Continuing my previous blog post with a comparison of water quality in Lishui (China) with London (UK), I now also include data for Hangzhou (China) obtained on 2024/09/01.
Safe drinking water in China Part 1: a comparison of water quality in Lishui (China) with London (UK)
Published:
In China most people drink boiled tap water, with an understanding that drinking unboiled tap water is not safe.
Majestic wines red wine analysis
Published:
I present some analysis of red wines available on Majestic wines, with data obtained using my recently released chrome extension.
Majestic wines + Vivino Chrome extension released
Published:
I have recently created a chrome extension to display the Vivino wine score on the Majestic wines website. The official version of the extension can be downloaded here. The open source development version can also be downloaded from my Github repository.
portfolio
Portfolio item number 1
Short description of portfolio item number 1
Portfolio item number 2
Short description of portfolio item number 2
publications
Polaronic structure of excess electrons and holes for a series of bulk iron oxides
Published in Physical Chemistry Chemical Physics, 2020
Recommended citation: Ahart, C. S., Blumberger, J. & Rosso, K. M. Polaronic structure of excess electrons and holes for a series of bulk iron oxides. Phys. Chem. Chem. Phys. 22, 10699–10709 (2020).
Electron and Hole Mobilities in Bulk Hematite from Spin-Constrained Density Functional Theory
Published in Journal of the American Chemical Society, 2022
Recommended citation: Ahart, C. S., Rosso, K. M. & Blumberger, J. Electron and Hole Mobilities in Bulk Hematite from Spin-Constrained Density Functional Theory. J. Am. Chem. Soc. 144, 4623–4632 (2022).
Implementation and Validation of Constrained Density Functional Theory Forces in the CP2K Package
Published in Journal of Chemical Theory and Computation, 2022
Recommended citation: Ahart, C. S., Rosso, K. M. & Blumberger, J. Implementation and Validation of Constrained Density Functional Theory Forces in the CP2K Package. J. Chem. Theory Comput. 18, 4438–4446 (2022).
Transitional surface Pt carbide formation during carbon nanotube growth
Published in Carbon, 2024
Recommended citation: Nerl, H. C., Ahart C. S., Eljarrat, A., Koch C. T., Cucinotta C. S. & Plodinec, M. Transitional surface Pt carbide formation during carbon nanotube growth. Carbon, 228, 119399, 2024.
Enabling Ab-Initio Molecular Dynamics under Bias: The CP2K+SMEAGOL Interface for Integrating Density Functional Theory and Non-Equilibrium Green Functions
Published in Journal of Chemical Theory and Computation, 2024
Recommended citation: Ahart, C. S., Chulkov, S. K. & Cucinotta, C. S. Enabling Ab-Initio Molecular Dynamics under Bias: The CP2K+SMEAGOL Interface for Integrating Density Functional Theory and Non-Equilibrium Green Functions. J. Chem. Theory Comput. 2024.
talks
Talk 1 on Relevant Topic in Your Field
Published:
This is a description of your talk, which is a markdown files that can be all markdown-ified like any other post. Yay markdown!
Conference Proceeding talk 3 on Relevant Topic in Your Field
Published:
This is a description of your conference proceedings talk, note the different field in type. You can put anything in this field.
teaching
Teaching experience 1
Undergraduate course, University 1, Department, 2014
This is a description of a teaching experience. You can use markdown like any other post.
Teaching experience 2
Workshop, University 1, Department, 2015
This is a description of a teaching experience. You can use markdown like any other post.