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Marco Govoni

Assistant Scientist


Marco Govoni is Assistant Scientist in the Materials Science Division and Center for Molecular Engineering. Marco is a materials scientist with experience in interdisciplinary projects at the crossroads between physics, chemistry, computer science, mathematics, and data science. He develops predictive modeling techniques based on first principles numerical simulations to help design advanced materials for renewable energy, water, and quantum information technologies.


  • PhD, Nanoscience and Nanotechnology, University of Modena and Reggio Emilia, Italy
  • MSc, Physics, University of Modena and Reggio Emilia, Italy
  • BSc, Physics, University of Modena and Reggio Emilia, Italy


  • DOE Early Career Award

Research topics

  • First principles and atomistic modeling of nanomaterials and renewable energy materials, water, and quantum information technologies
  • Development of first principles approaches for materials property prediction
  • Methodology and software development for integrating atomistic modeling and experimental measurements


The list of publications is available here: http://​www​.marco​gov​oni​.com/​p​u​b​l​i​c​a​t​i​o​n​s​.html.

Current/previous projects