Implemenation of a Parallel Direct SCF Algorithm on Distributed Memory Computers. - Thomas R. Furlani; Harry F. King (J. Comput. Chem., 1995)

Q-Chem 2.0: a high-performance ab initio electronic structure program package. - Jing Kong; Christopher A. White; Anna I. Krylov; C. David Sherrill; Ross D. Adamson; Thomas R. Furlani; Michael S. Lee; Aaron M. Lee; Steven R. Gwaltney; Terry R. Adams; Christian Ochsenfeld; Andrew T. B. Gilbert; et al. (J. Comput. Chem., 2000)

Lennard-Jones parameters for the combined QM/MM method using the B3LYP/6-31G*/AMBER potential. - Marek Freindorf; Yihan Shao; Thomas R. Furlani; Jing Kong (J. Comput. Chem., 2005)

Combined QM/MM Studies of Binding Effect of Cytochrome P450cam to Putidaredoxin. - Marek Freindorf; Yihan Shao; Jing Kong; Thomas R. Furlani (BIOCOMP, 2006)

Large-Scale QM/MM Calculations of Electronic Excitations in Yellow Protein: Toward Petascale Level of Protein Calculations. - Marek Freindorf; Matthew D. Jones; Yihan Shao; Jing Kong; Thomas R. Furlani (BIBE, 2007)

Thermal aware workload scheduling with backfilling for green data centers. - Lizhe Wang 001; Gregor von Laszewski; Jai Dayal; Thomas R. Furlani (IPCCC, 2009)

Towards Thermal Aware Workload Scheduling in a Data Center. - Lizhe Wang 001; Gregor von Laszewski; Jai Dayal; Xi He 002; Andrew J. Younge; Thomas R. Furlani (ISPAN, 2009)

Performance metrics and auditing framework for high performance computer systems. - Thomas R. Furlani; Matthew D. Jones; Steven M. Gallo; Andrew E. Bruno; Charng-Da Lu; Amin Ghadersohi; Ryan J. Gentner; Abani K. Patra; Robert L. DeLeon; Gregor von Laszewski; Lizhe Wang 001; Ann Zimmerman (TG, 2011)

Automatically mining program build information via signature matching. - Charng-Da Lu; Matthew D. Jones; Thomas R. Furlani (TG, 2011)

Implementing green technologies and practices in a high performance computing center. - Jay U. Patel; Salvatore J. Guercio; Andrew E. Bruno; Matthew D. Jones; Thomas R. Furlani (IGCC, 2013)

Enabling comprehensive data-driven system management for large computational facilities. - James C. Browne; Robert L. DeLeon; Charng-Da Lu; Matthew D. Jones; Steven M. Gallo; Amin Ghadersohi; Abani K. Patra; William L. Barth; John L. Hammond; Thomas R. Furlani; Robert T. McLay (SC, 2013)

Using XDMoD to facilitate XSEDE operations, planning and analysis. - Thomas R. Furlani; Barry I. Schneider; Matthew D. Jones; John Towns; David L. Hart; Steven M. Gallo; Robert L. DeLeon; Charng-Da Lu; Amin Ghadersohi; Ryan J. Gentner; Abani K. Patra; Gregor von Laszewski; et al. (XSEDE, 2013)

Comprehensive job level resource usage measurement and analysis for XSEDE HPC systems. - Charng-Da Lu; James C. Browne; Robert L. DeLeon; John L. Hammond; William L. Barth; Thomas R. Furlani; Steven M. Gallo; Matthew D. Jones; Abani K. Patra (XSEDE, 2013)

Performance metrics and auditing framework using application kernels for high-performance computer systems. - Thomas R. Furlani; Matthew D. Jones; Steven M. Gallo; Andrew E. Bruno; Charng-Da Lu; Amin Ghadersohi; Ryan J. Gentner; Abani K. Patra; Robert L. DeLeon; Gregor von Laszewski; Fugang Wang; Ann Zimmerman (Concurr. Comput. Pract. Exp., 2013)

Comprehensive resource use monitoring for HPC systems with TACC stats. - R. Todd Evans; William L. Barth; James C. Browne; Robert L. DeLeon; Thomas R. Furlani; Steven M. Gallo; Matthew D. Jones; Abani K. Patra (HUST@SC, 2014)

Towards a Scientific Impact Measuring Framework for Large Computing Facilities - a Case Study on XSEDE. - Fugang Wang; Gregor von Laszewski; Geoffrey Charles Fox; Thomas R. Furlani; Robert L. DeLeon; Steven M. Gallo (XSEDE, 2014)

An Analysis of Node Sharing on HPC Clusters using XDMoD/TACC_Stats. - Joseph P. White; Robert L. DeLeon; Thomas R. Furlani; Steven M. Gallo; Matthew D. Jones; Amin Ghadersohi; Cynthia D. Cornelius; Abani K. Patra; James C. Browne; William L. Barth; John L. Hammond (XSEDE, 2014)

Comprehensive, open-source resource usage measurement and analysis for HPC systems. - James C. Browne; Robert L. DeLeon; Abani K. Patra; William L. Barth; John L. Hammond; Matthew D. Jones; Thomas R. Furlani; Barry I. Schneider; Steven M. Gallo; Amin Ghadersohi; Ryan J. Gentner; Jeffrey T. Palmer; et al. (Concurr. Comput. Pract. Exp., 2014)

Analysis of XDMoD/SUPReMM Data Using Machine Learning Techniques. - Steven M. Gallo; Joseph P. White; Robert L. DeLeon; Thomas R. Furlani; Helen Ngo; Abani K. Patra; Matthew D. Jones; Jeffrey T. Palmer; Nikolay Simakov; Jeanette M. Sperhac; Martins Innus; Thomas Yearke; et al. (CLUSTER, 2015)

Peer Comparison of XSEDE and NCAR Publication Data. - Gregor von Laszewski; Fugang Wang; Geoffrey Charles Fox; David L. Hart; Thomas R. Furlani; Robert L. DeLeon; Steven M. Gallo (CLUSTER, 2015)

TAS view of XSEDE users and usage. - Robert L. DeLeon; Thomas R. Furlani; Steven M. Gallo; Joseph P. White; Matthew D. Jones; Abani K. Patra; Martins Innus; Thomas Yearke; Jeffrey T. Palmer; Jeanette M. Sperhac; Ryan Rathsam; Nikolay Simakov; et al. (XSEDE, 2015)

Application kernels: HPC resources performance monitoring and variance analysis. - Nikolay A. Simakov; Joseph P. White; Robert L. DeLeon; Amin Ghadersohi; Thomas R. Furlani; Matthew D. Jones; Steven M. Gallo; Abani K. Patra (Concurr. Comput. Pract. Exp., 2015)

Open XDMoD: A Tool for the Comprehensive Management of High-Performance Computing Resources. - Jeffrey T. Palmer; Steven M. Gallo; Thomas R. Furlani; Matthew D. Jones; Robert L. DeLeon; Joseph P. White; Nikolay Simakov; Abani K. Patra; Jeanette M. Sperhac; Thomas Yearke; Ryan Rathsam; Martins Innus; et al. (Comput. Sci. Eng., 2015)

A Quantitative Analysis of Node Sharing on HPC Clusters Using XDMoD Application Kernels. - Nikolay A. Simakov; Robert L. DeLeon; Joseph P. White; Thomas R. Furlani; Martins Innus; Steven M. Gallo; Matthew D. Jones; Abani K. Patra; Benjamin D. Plessinger; Jeanette M. Sperhac; Thomas Yearke; Ryan Rathsam; et al. (XSEDE, 2016)

A Slurm Simulator: Implementation and Parametric Analysis. - Nikolay A. Simakov; Martins D. Innus; Matthew D. Jones; Robert L. DeLeon; Joseph P. White; Steven M. Gallo; Abani K. Patra; Thomas R. Furlani (PMBS@SC, 2017)

XDMoD Value Analytics: A Tool for Measuring the Financial and Intellectual ROI of Your Campus Cyberinfrastructure Facilities. - Ben Fulton; Steven M. Gallo; Robert Henschel; Thomas Yearke; Katy Börner; Robert L. DeLeon; Thomas R. Furlani; Craig A. Stewart; Matthew R. Link (PEARC, 2017)

Challenges of Workload Analysis on Large HPC Systems: A Case Study on NCSA Blue Waters. - Joseph P. White; Martins Innus; Matthew D. Jones; Robert L. DeLeon; Nikolay Simakov; Jeffrey T. Palmer; Steven M. Gallo; Thomas R. Furlani; Michael T. Showerman; Robert Brunner; Andry Kot; Gregory H. Bauer; et al. (PEARC, 2017)

Workload Analysis of Blue Waters. - Matthew D. Jones; Joseph P. White; Martins Innus; Robert L. DeLeon; Nikolay Simakov; Jeffrey T. Palmer; Steven M. Gallo; Thomas R. Furlani; Michael T. Showerman; Robert Brunner; Andry Kot; Gregory H. Bauer; et al. (CoRR, 2017)

Federating XDMoD to Monitor Affiliated Computing Resources. - Jeanette M. Sperhac; Benjamin D. Plessinger; Jeffrey T. Palmer; Rudra Chakraborty; Gregary Dean; Martins Innus; Ryan Rathsam; Nikolay Simakov; Joseph P. White; Thomas R. Furlani; Steven M. Gallo; Robert L. DeLeon; et al. (CLUSTER, 2018)

Slurm Simulator: Improving Slurm Scheduler Performance on Large HPC systems by Utilization of Multiple Controllers and Node Sharing. - Nikolay A. Simakov; Robert L. DeLeon; Martins D. Innus; Matthew D. Jones; Joseph P. White; Steven M. Gallo; Abani K. Patra; Thomas R. Furlani (PEARC, 2018)

Evaluating the Scientific Impact of XSEDE. - Fugang Wang; Gregor von Laszewski; Timothy Whitson; Geoffrey C. Fox; Thomas R. Furlani; Robert L. DeLeon; Steven M. Gallo (PEARC, 2018)

Automatic Characterization of HPC Job Parallel Filesystem I/O Patterns. - Joseph P. White; Alexander D. Kofke; Robert L. DeLeon; Martins Innus; Matthew D. Jones; Thomas R. Furlani (PEARC, 2018)

A Workload Analysis of NSF's Innovative HPC Resources Using XDMoD. - Nikolay A. Simakov; Joseph P. White; Robert L. DeLeon; Steven M. Gallo; Matthew D. Jones; Jeffrey T. Palmer; Benjamin D. Plessinger; Thomas R. Furlani (CoRR, 2018)

Effect of Meltdown and Spectre Patches on the Performance of HPC Applications. - Nikolay A. Simakov; Martins D. Innus; Matthew D. Jones; Joseph P. White; Steven M. Gallo; Robert L. DeLeon; Thomas R. Furlani (CoRR, 2018)

Assessment of financial returns on investments in cyberinfrastructure facilities: A survey of current methods. - Craig A. Stewart; David Y. Hancock; Julie Wernert; Thomas R. Furlani; David Lifka; Alan Sill; Nicholas Berente; Donald F. McMullen; Thomas E. Cheatham; Amy W. Apon; Ron Payne; Shawn D. Slavin (PEARC, 2019)

Managing computational gateway resources with XDMoD. - Jeanette M. Sperhac; Robert L. DeLeon; Thomas R. Furlani; Steven M. Gallo; Martins Innus; Matthew D. Jones; Jeffrey T. Palmer; Abani K. Patra; Benjamin D. Plessinger; Ryan Rathsam; Nikolay Simakov; Joseph P. White; et al. (Future Gener. Comput. Syst., 2019)

GenESysV: a fast, intuitive and scalable genome exploration open source tool for variants generated from high-throughput sequencing projects. - Mohammad Zia; Paul Spurgeon; Adrian Levesque; Thomas R. Furlani; Jianxin Wang (BMC Bioinform., 2019)

Towards Performant Workflows, Monitoring and Measuring. - Jeanette M. Sperhac; Robert L. DeLeon; Joseph P. White; Matthew D. Jones; Andrew E. Bruno; Renette L. Jones-Ivey; Thomas R. Furlani; Jonathan E. Bard; Vipin Chaudhary (ICCCN, 2020)

Monitoring and Analysis of Power Consumption on HPC Clusters using XDMoD. - Joseph P. White; Martins Innus; Robert L. DeLeon; Matthew D. Jones; Thomas R. Furlani (PEARC, 2020)

Performance Optimization of the Open XDMoD Datawarehouse. - Gregary Dean; Joshua Moraes; Joseph P. White; Robert L. DeLeon; Matthew D. Jones; Thomas R. Furlani (PEARC, 2022)

Are we ready for broader adoption of ARM in the HPC community: Performance and Energy Efficiency Analysis of Benchmarks and Applications Executed on High-End ARM Systems. - Nikolay A. Simakov; Robert L. DeLeon; Joseph P. White; Matthew D. Jones; Thomas R. Furlani; Eva Siegmann; Robert J. Harrison (HPC Asia Workshops, 2023)

ACCESS: Advancing Innovation: NSF's Advanced Cyberinfrastructure Coordination Ecosystem: Services & Support. - Timothy J. Boerner; Stephen Deems; Thomas R. Furlani; Shelley L. Knuth; John Towns (PEARC, 2023)

First Impressions of the NVIDIA Grace CPU Superchip and NVIDIA Grace Hopper Superchip for Scientific Workloads. - Nikolay A. Simakov; Matthew D. Jones; Thomas R. Furlani; Eva Siegmann; Robert J. Harrison (HPC Asia Workshops, 2024)

Overview of ACCESS allocated cyberinfrastructure usage. - Joseph Patrick White; Aaron Weeden; Robert L. DeLeon; Thomas R. Furlani; Matthew D. Jones (PEARC, 2024)

The Data Analytics Framework for XDMoD. - Aaron Weeden; Joseph P. White; Robert L. DeLeon; Ryan Rathsam; Nikolay A. Simakov; Conner Saeli; Thomas R. Furlani (SN Comput. Sci., 2024)