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Maricris MayesMaricris Mayes, Associate Professor

B.S. 2000, Mindanao State University - Iligan Institute of Technology
Ph.D. 2007, Michigan State University

Postdoc Appointments:
Argonne National Laboratory, 2011-2013
Northwestern University, 2007-2011

Research Interests: Theoretical and Computational Chemistry, Quantum Chemistry, Reaction Dynamics and Mechanisms, Ab Initio Molecular Dynamics, Computational Material Science/Nanoscience, High-Performance Computing

Biography: Maricris Mayes is an assistant professor at the University of Massachusetts Dartmouth. She received her B.S. in Chemistry from Mindanao State University-Iligan Institute of Technology and her Ph.D. in Chemistry from Michigan State University in 2007. Her graduate work was focused on developing new generations of ab initio methods based on coupled-cluster wavefunction formalism, which she efficiently implemented using the idea of diagram factorization techniques and recursively generated intermediates resulting to fully vectorized codes. After graduation, Maricris was a postdoctoral fellow at Northwestern University and was involved in studies of electron impact and photodissociation of methane using trajectory surface hopping approaches as well as studies of the mechanical and optical properties of carbon nanotubes. In 2011, she joined the Argonne Leadership Computing Facility at Argonne National Laboratory where she used Mira supercomputer for large-scale, fully ab intio calculations using highly scalable methods such as fragment molecular orbital method in GAMESS program.


  • IUPAC Young Observer (2015)
  • IUPAC Young Chemist Travel Award (2015)
  • IBM Lowdin Fellowship for Postdoctoral Researchers (2012)
  • American Chemical Society Division of Computers in Chemistry Chemical Computing Group Excellence Award for Graduate Students (2007)
  • Michigan State University Dissertation Completion Fellowship (2007)
  • Michigan State University Department of Chemistry Educational Merit Fellowship (2006)
  • IBM Zerner Fellowship for Graduate Students (2005)
  • Michigan State University  James. L. Dye Endowed Fellowship (2005)

Google Scholar Link

Maricris Mayes' Theoretical and Computational Chemistry Research Lab


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