Maricris Mayes

Assistant Professor
Chemistry & Biochemistry
University of Massachusetts Dartmouth
United States of America

Professor Biochemistry
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, one of the most powerful supercomputers in the world for large-scale, fully ab intio calculations using highly scalable methods such as fragment molecular orbital method in GAMES program.

Research Intrest

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

List of Publications
High Accuracy Predictions of the Bulk Properties of Water (ESP Technical Report: February, 2013): ALCF-2 Early Science Program Technical Report ML Mayes, GD Fletcher, Y Alexeev - 2013
Towards large-scale fully ab initio calculations using fragment molecular orbital method on petascale computers ML Mayes, Y Alexeev, G Fletcher, M Gordon - ABSTRACTS OF PAPERS OF THE AMERICAN …, 2014
Poster: Towards Highly Accurate Large-Scale Ab Initio Calculations Using Fragment Molecular Method in GAMESS ML Mayes, GD Fletcher, MS Gordon - … Computing, Networking, Storage and Analysis (SCC), …, 2012
Poster: Towards Highly Accurate Large-Scale Ab Initio Calculations Using Fragment Molecular Method in GAMESS ML Mayes, GD Fletcher, MS Gordon - … Computing, Networking, Storage and Analysis (SCC), …, 2012
Shear interactions within carbon nanotube bundles. JT Paci, T Filleter, S Yockel, M Naraghi, OC Compton, ML Mayes, - ABSTRACTS OF PAPERS OF THE AMERICAN …, 2012
Scalable Ensemble Ab Initio Calculations Using the Fragment Molecular Orbital Method in GAMESS Y Alexeev, ML Mayes, SR Pruitt, GD Fletcher… - Phys. Chem. Chem. Phys, 2012
Towards Highly Accurate Large-Scale Ab Initio Calculations Using Fragment Molecular Orbital Method in GAMESS ML Mayes, GD Fletcher, MS Gordon - … Computing, Networking, Storage and Analysis (SCC), …, 2012

Global Scientific Words in Biochemistry