Research Software Engineer

Dr. Carlos Murilo Romero Rocha


Carlos obtained his PhD degree in Theoretical & Computational Chemistry from the University of Coimbra. His doctoral research focused on developing quantum chemistry protocols to generate high-fidelity data for molecules relevant to atmospheric and combustion chemistry. He also contributed to the development of open-source software for fitting molecular potential energy surfaces. 

In 2020, Carlos joined the Laboratory for Astrophysics group at the Leiden University as a Marie Skłodowska-Curie fellow to pursue his post-doctoral studies in molecular astrophysics. During this time, he developed computational methodologies to predict the chemical reactivity, spectroscopy, and thermodynamic stability of elusive astromolecules. His work provided valuable input for astrochemical models and astronomical observations, demonstrating the fruitful interplay between theoretical chemistry and astronomy in the identification of molecules in space.

With a deep passion for scientific research and software development, Carlos joined the Netherlands eScience Center in 2023 as a Research Software Engineer. His current research interests revolve around the development and application of quantum computing and machine learning algorithms to general problems in chemistry and physics.

Key Skills

  • Astrochemistry
  • Physical Chemistry
  • Programming languages: Fortran, Python
  • Quantum Chemistry