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<!doctype html>
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<title>Researches</title>
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<img src="/assets/images/me.jpg" alt="Me" width="180">
<p>Johnatan Mucelini</p>
<p>PhD student in </p>
<p><a href="https://www5.iqsc.usp.br/">IQSC</a> - <a href="https://www5.usp.br/">USP</a></p>
<p style="margin-top:40px;"> Links: </p>
<p>
<a href="https://orcid.org/0000-0001-5687-8603"><img src="/assets/images/orcid_bw.png" alt="orcid icon" style="width:30px;height:30px;border:5;"></a>
<a href="https://scholar.google.com/citations?user=kIUsR28AAAAJ&hl=pt-BR"><img src="/assets/images/googleacademico_bw.png" alt="google academico icon" style="width:30px;height:30px;border:5;"></a>
<a href="http://lattes.cnpq.br/6336353192848542"><img src="/assets/images/lattes_bw.png" alt="lattes icon" style="width:30px;height:30px;border:5;"></a>
<a href="https://publons.com/researcher/3260975/johnatan-mucelini/"><img src="/assets/images/publons_bw.png" alt="publons icon" style="width:30px;height:30px;border:5;"></a>
<a href="https://github.com/johnatanmucelini"><img src="/assets/images/github_bw.png" alt="github icon" style="width:30px;height:30px;border:5;"></a>
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<a href="/" class="title">Johnatan</a>    
<a href="/publications.html" class="title">Publications</a>    
<a href="/researches.html" class="title">Researches</a>    
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<h2> Ongoing Researches </h2>
I am developing a <em>data mining framework</em> (a python module called <a href="https://github.com/johnatanmucelini/quandarium">Quandarium</a>) to analyze the relationship between the atomic environment and property of interest, such as cohesive energy.
The highlight of our methodology is the AtoMF features, which describe the atomic systems with physical meaningful features, facilitating the interpretations of the founded relationships.
The article below addresses the methodology in detail.
<p> <a href="https://doi.org/10.1021/acs.jcim.0c01267"> <img src="/assets/images/data_minig_paper.png" alt="data_minig_paper" style="width:600px;height:514;"></a> </p>
The following papers employed AtoMF features:
<ul>
<li> Methane dehydrogenation on 3<em>d</em> 13-atom transition-metal clusters: A density functional theory investigation combined with Spearman rank correlation analysis. <em>Fuel</em>, <strong>2020</strong>, 275, 117790. DOI: <a href="https://doi.org/10.1016/j.fuel.2020.117790">10.1016/j.fuel.2020.117790</a> </li>
<li> Ab Initio Insights Into the Formation Mechanisms of 55-Atom Pt-Based Core-Shell Nanoalloys. <em>The Journal of Physical Chemistry</em>, <strong>2020</strong>, 124, 1, 1158-1164. DOI: <a href="https://doi.org/10.1021/acs.jpcc.9b09561">10.1021/acs.jpcc.9b09561</a> </li>
<li> Ab initio insights into the structural, energetic, electronic, and stability properties of mixed Ce<sub>n</sub>Zr<sub>15-n</sub>O<sub>30</sub> nanoclusters, <em>Physical Chemistry Chemical Physics</em>, <strong>2019</strong>, 21, 26637-26646. DOI: <a href="http://dx.doi.org/10.1039/C9CP04762J">10.1039/C9CP04762J</a> </li>
</ul>
Currently, I am working on developing models that facilitate the extraction of knowledge and the relationship between AtoMF features and the targets.
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