Developing an Advanced Environment for Collaborative Computing. - Irma Becerra-Fernandez; Helen Stewart; Martha Del Alto; Chris Knight 001 (FLAIRS, 2000)

Semi-Structured Data Management in the Enterprise: A Nimble, High-Throughput, and Scalable Approach. - David A. Maluf; David G. Bell; Naveen Ashish; Chris Knight 001; Peter B. Tran (IDEAS, 2005)

Extending parallel scalability of LAMMPS and multiscale reactive molecular simulations. - Yuxing Peng 002; Chris Knight 001; Philip D. Blood; Lonnie D. Crosby; Gregory A. Voth (XSEDE, 2012)

Enabling Large-Scale Biomolecular Conformation Search with Replica Exchange Statistical Temperature Molecular Dynamics (RESTMD) over HPC and Cloud Computing Resources. - Nayong Kim; Richard Platania; Wei Huang; Chris Knight 001; Tom Keyes; Seung-Jong Park; Joohyun Kim 001 (AINA Workshops, 2015)

Optimal scheduling of in-situ analysis for large-scale scientific simulations. - Preeti Malakar; Venkatram Vishwanath; Todd S. Munson; Christopher Knight 001; Mark Hereld; Sven Leyffer; Michael E. Papka (SC, 2015)

Optimal execution of co-analysis for large-scale molecular dynamics simulations. - Preeti Malakar; Venkatram Vishwanath; Christopher Knight 001; Todd S. Munson; Michael E. Papka (SC, 2016)

Scalable In situ Analysis of Molecular Dynamics Simulations. - Preeti Malakar; Christopher Knight 001; Todd S. Munson; Venkatram Vishwanath; Michael E. Papka (ISAV@SC, 2017)

Optimizing the Performance of Reactive Molecular Dynamics Simulations for Multi-Core Architectures. - Hasan Metin Aktulga; Christopher Knight 001; Paul K. Coffman; Kurt A. O'Hearn; Tzu-Ray Shan; Wei Jiang (CoRR, 2017)

Topology-aware space-shared co-analysis of large-scale molecular dynamics simulations. - Preeti Malakar; Todd S. Munson; Christopher Knight 001; Venkatram Vishwanath; Michael E. Papka (SC, 2018)

A Generalized Statistics-Based Model for Predicting Network-Induced Variability. - Sudheer Chunduri; Elise Jennings; Kevin Harms; Christopher Knight 001; Scott Parker (PMBS@SC, 2019)

Optimizing the performance of reactive molecular dynamics simulations for many-core architectures. - Hasan Metin Aktulga; Chris Knight 001; Paul K. Coffman; Kurt A. O'Hearn; Tzu-Ray Shan; Wei Jiang (Int. J. High Perform. Comput. Appl., 2019)

Performance Portability Evaluation of OpenCL Benchmarks across Intel and NVIDIA Platforms. - Colleen Bertoni; JaeHyuk Kwack; Thomas Applencourt; Yasaman Ghadar; Brian Homerding; Christopher Knight 001; Brice Videau; Huihuo Zheng; Vitali A. Morozov; Scott Parker (IPDPS Workshops, 2020)

Evaluating Performance Portability of OpenMP for SNAP on NVIDIA, Intel, and AMD GPUs Using the Roofline Methodology. - Neil A. Mehta; Rahulkumar Gayatri; Yasaman Ghadar; Christopher Knight 001; Jack Deslippe (WACCPD@SC, 2020)

Evaluation of Performance Portability of Applications and Mini-Apps across AMD, Intel and NVIDIA GPUs. - JaeHyuk Kwack; John R. Tramm; Colleen Bertoni; Yasaman Ghadar; Brian Homerding; Esteban Rangel; Christopher Knight 001; Scott Parker (P3HPC@SC, 2021)

Rendezvous algorithms for large-scale modeling and simulation. - Steven J. Plimpton; Christopher Knight 001 (J. Parallel Distributed Comput., 2021)

MOFA: Discovering Materials for Carbon Capture with a GenAI- and Simulation-Based Workflow. - Xiaoli Yan; Nathaniel Hudson; Hyun Park; Daniel Grzenda; J. Gregory Pauloski; Marcus Schwarting; Haochen Pan; Hassan Harb; Sam Foreman; Chris Knight 001; Tom Gibbs; Kyle Chard; et al. (CoRR, 2025)