Malgorzata Z Makos

Bio

Małgorzata received her Ph.D. in Computational and Theoretical Chemistry in 2021 from Southern Methodist University. Her doctoral dissertation focused on studying reaction mechanisms for transition metal and actinide catalysis based on quantum chemical methods ranging from local vibrational spectroscopy to relativity. In 2020, Małgorzata completed the Applied Machine Learning Summer Research Fellowship at Los Alamos National Laboratory, where she worked on machine learning potentials.  Currently, Małgorzata is a postdoctoral research associate in the Chemical Sciences Division at ORNL. She works on a variety of projects mainly applying ab initio molecular dynamics methods for studying heterogeneous and homogeneous catalysis, materials, and chemical separations. She also develops computational chemistry and machine learning methods to study large-scale reaction mechanisms.

Publications