Professor Blaisten-Barojas’s research interests are focused on the organization of the microscopic interactions between atoms and molecules in condensed phases of materials including biomaterials. Her research involves large scale dynamical simulations of systems in condensed phases, computational statistical mechanics algorithms, physics of elemental and molecular clusters, development of model potentials for molecular dynamics, applications of quantum chemistry to nanoscience, and machine learning discovery in solid state materials and soft materials including biomaterials. She has published 127 refereed journal papers, has advised and graduated 16 doctoral students in the Computational Sciences and Informatics PhD and 6 master students. She is the director of the Center for Modeling and Simulation within the Department of Computational and Data Sciences (https://science.gmu.edu/directory/estela-blaisten-barojas).
In addition, Professor blaisten is Associate Editor of the journal Frontiers in Nanotechnology (section Computational Nanotechnology) and serves in the Editorial Board of the Journal of Computational and Theoretical Nanoscience.
