Maricris Lodriguito Mayes

Postdoctoral Appointee
Maricris Mayes

Argonne National Laboratory
9700 South Cass Avenue
Building 240 - Wkstn. 1D15
Argonne IL, 60439

630-252-1027
Bio: 

Maricris Mayes is a postdoctoral researcher at the ALCF.  She received her B.S. in Chemistry from Mindanao State University-Iligan Institute of Technology, and a 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. Prior to joining the ALCF, she was a Postdoctoral Fellow with Prof. Schatz's group at Northwestern University, and was involved in studies of electron-impact and photodissociation of methane using trajectory surface hooping approaches as well as studies of mechanical and optical properties of carbon nanotubes. At the ALCF, she is working on an Early Science Project focused on high accuracy predictions of the bulk properties of water using a combination of fragment molecular orbital and molecular dynamics in GAMESS program


Professional Societies & Advisory Committees: 
2003 - Present American Chemical Society

Areas of Interest: 
Ab Initio Electronic Structure Methods, Ab Initio Molecular Dynamics, Computational Material Science/Nanoscience, High Performance Computing, Reaction Mechanism and Dynamics, Theoretical and Computational Chemistry