M. ALMEIDA DE MENDONCA Joao Paulo

I work with computer physics, applying it to materials science and complex systems (the last one mostly for fun). Most of my time is spended coding and helping other researchers to improve their data management tools and machine learning aplications.

An important part of my works is the use of bioinspired algorithms (mostly evolutionary or particles swarm algorithms) and machine learning approaches (e.g., ANNs, clustering, and manifold learning), combining it with well know classical and first principle calculations software (both pakages like LAMMPS, VASP, xTB, and ORCA; and libraries like PySCF).

Recently, I have been doing my research on the development of machine learning functionals to model systems with spin crossover via DFT. I work as a research engineer on the DIAMOND project, developping machine learning workflows with other material science researchers.