Christopher Knight

Biography

A key research interest of mine is the advancement of molecular simulations to model soft condensed matter using both classical and ab initio methods. As a member of the ALCF Catalyst team, I work closely with researchers to help them accomplish their scientific goals using leadership computational resources. To address the unique challenges of efficiently using leadership-scale resources at ALCF, I assist researchers with profiling and debugging their codes, discuss strategies and provide general guidance on code parallelization, I/O, load-balancing, workflow design, and data management. Important components of this work are training users on key high-performance computing topics and collaborating with researchers to advance their scientific mission.

Research Interest

High-performance scientific computing Classical and quantum dynamics and multiscale processes in condensed phases Computer simulations via first principle methods (KS- and OF-DFT) Accurate and efficient simulation of chemical reactions in condensed phases Chemistry at interfaces