Sholl’s research focuses on materials whose macroscopic dynamic and thermodynamic properties are strongly influenced by their atomic-scale structure. Much of this research involves applying computational techniques such as molecular dynamics, Monte Carlo simulations and quantum chemistry methods to materials of interest. Although the group's work is centered on computational methods, it involves extensive collaboration with experimental groups and industrial partners.

Phanish Suryanarayana joined the School of Civil and Environmental Engineering at the Georgia Institute of Technology in August 2011. He received his B.Tech. from Indian Institute of Technology, Madras, India in 2005. He obtained his M.S. in Aeronautics from California Institute of Technology in 2006. Subsequently, he received his Ph.D. in Aeronautics from California Institute of Technology in 2011 for his thesis titled "Coarse-graining Kohn-Sham Density Functional Theory". His research interests are in the areas of multiscale modeling, ab-initio calculations, density functional theory, continuum mechanics and smart materials. Overall, he is interested in developing efficient numerical methods for solving problems arising in a variety of fields. On a personal level, Dr. Suryanarayana is a sports enthusiast. He plays badminton, cricket, waterpolo, and ultimate frisbee. He also is an avid gamer (PC) and enjoys playing bridge and other board game

Dr. Grijalva joined the Georgia Institute of Technology in the summer of 2009 as Associate Professor of Electrical and Computer Engineering. He is the Director of the Advanced Computational Electricity Systems (ACES) Laboratory, where he conducts research on real-time power system control, informatics, and economics, and renewable energy integration in power. From 2012-2015, Dr. Grijalva served as the Strategic Energy Institute (SEI) Associate Director for Electricity Systems, responsible for coordinating large efforts on electricity research and policy at Georgia Tech. Dr. Grijalva received the Electrical Engineer degree from EPN-Ecuador in 1994, the M.S. Certificate in Information Systems from ESPE-Ecuador in 1997, and the M.S. and Ph.D. degrees in Electrical Engineering from the University of Illinois at Urbana-Champaign in 1999 and 2002, respectively. He was a post-doctoral fellow in Power and Energy Systems at the University of Illinois from 2003 to 2004. From 1995 to 1997, he was with the Ecuadorian National Center for Energy Control (CENACE) as engineer and manager of the Real-Time EMS Software Department. From 2002 to 2009, he was with PowerWorld Corporation as a senior software architect and developer of innovative real-time and optimization applications used today by utilities, control centers, and universities in more than 60 countries. Dr. Grijalva is a leading researcher on ultra-reliable architectures for critical energy infrastructures. He has pioneered work on de-centralized and autonomous power system control, renewable energy integration in power, and unified network models and applications. He is currently the principal investigator of various future electricity grid research projects for the US Department of Energy, ARPA-E, EPRI, PSERC as well as other Government organizations, research consortia, and industrial sponsors. Research interests: Power system and smart grid computation De-centralized and autonomous power control architectures Ultra-reliable electricity internetworks Seamless integration of large-scale renewable energy Electricity markets design and power system economics

Anton Leykin conducts research in nonlinear algebra with an emphasis on algorithm design and applications. His recent work centers on computer algebra, spanning topics from computer-assisted proofs to hybrid symbolic–numerical computation to parallel computing. He is also interested in applying methods from algebra and geometry to problems in science and engineering, with applications in areas such as computer vision and astrodynamics.

Eric joined PACE in 2021, and currently leads the Research Computing Facilitation team, after having worked as a Cyberinfrastructure Architect and RCF. Before joining PACE, Eric could be found at Indiana University as a systems engineer with the XSEDE Campus Bridging team, providing HPC-oriented consultations to institutions across the US. He also worked closely with the Cyberinfrastructure Research Center at IU, providing support for several different science gateway projects. Prior to that, his research in condensed matter physics at Florida State University involved computational studies of the optical properties of strongly correlated materials.

Aaron joined the PACE team in May 2019 as a computing facilitator, and currently serves as the Scheduler Architect. Through supporting users, he grew to appreciate the opportunity to improve HPC workflows through scheduler and systems configurations that lower the barrier to entry and passively optimize code execution. Additionally, Aaron has been involved in the Vertically Integrated Projects (VIP) program since Spring 2020, mentoring multiple teams of students with the Team Phoenix VIP through international HPC competitions at the ISC-HPC and Supercomputing conferences and more recently, providing leadership for the Future Computing with the Rogues Gallery VIP as they research applications of novel compute architectures. Prior to joining PACE, Aaron studied free neutron and nuclear beta decay as a precision test of the Standard Model, which entailed a diverse range of activities, including particle simulation and detection, digital and analog signal processing, and algorithm optimization across x86, GPU, and FPGA architectures.