Computational Scientist, Argonne National Laboratory
Álvaro Vázquez-Mayagoitia is an expert in computational and theoretical chemistry. His experience spans both methods and applications of electronic structure theory with high-performance computing. He contributes to several open source codes to archive scalability on large data centers, enabling national and international projects to apply for resources at Department of Energy's leadership computing facilities. In recent years, Mayagoitia works with multidisciplinary teams to develop machine learning methods and application for materials science and chemistry. He is interested in advancing discovery using large computational resources and artificial intelligence, particularly in domains of physical sciences.