About Robert Kalescky
Dr. Robert Kalescky has been an HPC Applications Scientist at SMU since 2015. As the HPC Applications Scientist, he provided consultations for the parallelization, performance optimization, and scaling of research codes for use on SMU's HPC clusters, from ManeFrame I and II to currently the NVIDIA DGX SuperPOD and M3. He received his Bachelor of Science in Chemical Engineering from Texas Tech University in 2006, his Master of Science in Chemistry from the University of Texas at Dallas in 2009, and his Ph.D in Chemistry from SMU in 2014. His chemical research career has spanned a wide breadth of length and time scales including some of the most accurate quantum chemical calculations published for several small molecules, large scale classical molecular dynamics simulations of nanoparticles and proteins, and ab initio molecular dynamics simulations of extremely porous materials as molecular sieves. Additionally, he has been working on the development of computationally efficient machine-learned functionals for density functional theory simulations. In 2020, he was awarded the SMU President’s Award for Innovation for his work assisting in the safe return of students to campus during the COVID-19 pandemic.