My work aims to understand and predict the complex behavior of self-assembled monolayers on metal surfaces. By leveraging innovative methodologies, I strive to push the boundaries of computational materials science and contribute to the development of next-generation nanomaterials. My expertise includes molecular dynamics, quantum chemistry, and the integration of machine learning techniques into materials research.
A significant aspect of my research involves applying machine learning to enhance the accuracy and efficiency of simulations. I have developed and utilized message passing neural networks to create new potentials that offer quantum accuracy at the cost of molecular dynamics simulations in order to predict the properties of complex nanostructures. This approach accelerates the discovery process and opens new avenues for exploration in theoretical chemistry.
I am an expert in a wide range of advanced skills critical to computational chemistry and materials science.
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Molecular Dynamics simulationI have gained hands-on experience with advanced simulation tools like LAMMPS and ReaxFF. Providing valuable insights into the dynamic properties of materials at the atomic level.
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Machine Learning PotentialI have developed and utilized message passing neural networks to create new computational models with high precision. My work involves integrating machine learning techniques to enhance the accuracy and efficiency of molecular simulations, enabling the prediction of complex nanostructure behaviors.
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Data Analysis and specific skillsI possess advanced skills in Python and Bash. My expertise in these tools enables me to develop complex models, automate data analysis, and efficiently manage large datasets. Moreover, utilizing AI techniques, I significantly enhance the speed and accuracy of my work in theoretical chemistry and materials science.
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Scientific writingMy academic journey at Sorbonne Université has provided me with extensive experience in drafting, editing, and refining scientific manuscripts either on the office package or LaTeX. This background has honed my ability to clearly and effectively communicate complex research findings, making me adept at writing papers that meet the rigorous standards of the scientific community.
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Publication RecordI Published in prestigious journals such as the Journal of Physical Chemistry C (JPC-C), where my work has already been cited by other researchers. This recognition underscores the impact and relevance of my research in the scientific community. Additionally, I am currently writing two new papers, further demonstrating my ongoing commitment to advancing knowledge in my field.
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Oral communicationsI have delivered numerous presentations at international conferences. My ability to clearly and effectively convey complex research findings has been recognized in various academic forums, allowing me to engage with the scientific community and share my work on a global stage. This extensive experience in public speaking not only enhances my ability to communicate my research but also helps in networking and collaborating with other researchers.