Marta García has a background in computational fluid dynamics (CFD). Her research interests focus on CFD, high-performance computing, neuroscience, decision-making strategies, project management and training.
Salman has research activities in physical science, ranging from high energy physics to cosmology. He also leads projects in the areas of algorithms & computational methods, high-performance computing, and advanced statistical methods & machine learning.
Development of sampling methods in computational chemistry and molecular simulations; computer simulations of small molecule recognition processes; development of HPC molecular dynamics software.
Murat has experience in developing & implementing scalable methods related to electronic & vibrational structure of molecules & extended systems. He has interest in applying deep learning methods for accurate calculations of thermochemical properties.
Christopher’s interests include development of large-scale molecular simulation algorithms and understanding scientific application performance on future computational resources.