| Open XDMoD: A tool for the comprehensive management of high-performance computing resources JT Palmer, SM Gallo, TR Furlani, MD Jones, RL DeLeon, JP White, ... Computing in Science & Engineering 17 (4), 52-62, 2015 | 110 | 2015 |
| A slurm simulator: Implementation and parametric analysis NA Simakov, MD Innus, MD Jones, RL DeLeon, JP White, SM Gallo, ... High Performance Computing Systems. Performance Modeling, Benchmarking, and …, 2018 | 65 | 2018 |
| pH-triggered conformational switching of the diphtheria toxin T-domain: the roles of N-terminal histidines IV Kurnikov, A Kyrychenko, JC Flores-Canales, MV Rodnin, N Simakov, ... Journal of molecular biology 425 (15), 2752-2764, 2013 | 58 | 2013 |
| A workload analysis of NSF's innovative HPC resources using XDMoD NA Simakov, JP White, RL DeLeon, SM Gallo, MD Jones, JT Palmer, ... arXiv preprint arXiv:1801.04306, 2018 | 49 | 2018 |
| Performance metrics and auditing framework using application kernels for high‐performance computer systems TR Furlani, MD Jones, SM Gallo, AE Bruno, CD Lu, A Ghadersohi, ... Concurrency and Computation: Practice and Experience 25 (7), 918-931, 2013 | 39 | 2013 |
| Soft wall ion channel in continuum representation with application to modeling ion currents in α-hemolysin NA Simakov, MG Kurnikova The Journal of Physical Chemistry B 114 (46), 15180-15190, 2010 | 38 | 2010 |
| Effect of lipid composition on the “membrane response” induced by a fusion peptide PE Volynsky, AA Polyansky, NA Simakov, AS Arseniev, RG Efremov Biochemistry 44 (44), 14626-14637, 2005 | 38 | 2005 |
| Effect of meltdown and spectre patches on the performance of HPC applications NA Simakov, MD Innus, MD Jones, JP White, SM Gallo, RL DeLeon, ... arXiv preprint arXiv:1801.04329, 2018 | 34 | 2018 |
| Using XDMoD to facilitate XSEDE operations, planning and analysis TR Furlani, BL Schneider, MD Jones, J Towns, DL Hart, SM Gallo, ... Proceedings of the Conference on Extreme Science and Engineering Discovery …, 2013 | 32 | 2013 |
| Workload analysis of blue waters MD Jones, JP White, M Innus, RL DeLeon, N Simakov, JT Palmer, ... arXiv preprint arXiv:1703.00924, 2017 | 27 | 2017 |
| A64FX performance: experience on Ookami MAS Bari, B Chapman, A Curtis, RJ Harrison, E Siegmann, NA Simakov, ... 2021 IEEE International Conference on Cluster Computing (CLUSTER), 711-718, 2021 | 21 | 2021 |
| Slurm simulator: Improving slurm scheduler performance on large hpc systems by utilization of multiple controllers and node sharing NA Simakov, RL DeLeon, MD Innus, MD Jones, JP White, SM Gallo, ... Proceedings of the Practice and Experience on Advanced Research Computing, 1-8, 2018 | 21 | 2018 |
| Ookami: Deployment and initial experiences A Burford, A Calder, D Carlson, B Chapman, F Coskun, T Curtis, ... Practice and Experience in Advanced Research Computing, 1-8, 2021 | 19 | 2021 |
| Comprehensive, open‐source resource usage measurement and analysis for HPC systems JC Browne, RL DeLeon, AK Patra, WL Barth, J Hammond, MD Jones, ... Concurrency and Computation: Practice and Experience 26 (13), 2191-2209, 2014 | 19 | 2014 |
| Analysis of XDMoD/SUPReMM data using machine learning techniques SM Gallo, JP White, RL DeLeon, TR Furlani, H Ngo, AK Patra, MD Jones, ... 2015 IEEE International Conference on Cluster Computing, 642-649, 2015 | 18 | 2015 |
| Homolytic cleavage of both heme-bound hydrogen peroxide and hydrogen sulfide leads to the formation of sulfheme HD Arbelo-Lopez, NA Simakov, JC Smith, J Lopez-Garriga, T Wymore The Journal of Physical Chemistry B 120 (30), 7319-7331, 2016 | 17 | 2016 |
| Application kernels: HPC resources performance monitoring and variance analysis NA Simakov, JP White, RL DeLeon, A Ghadersohi, TR Furlani, MD Jones, ... Concurrency and Computation: Practice and Experience 27 (17), 5238-5260, 2015 | 13 | 2015 |
| A quantitative analysis of node sharing on hpc clusters using xdmod application kernels NA Simakov, RL DeLeon, JP White, TR Furlani, M Innus, SM Gallo, ... Proceedings of the XSEDE16 Conference on Diversity, Big Data, and Science at …, 2016 | 12 | 2016 |
| Modernizing Titan2D, a parallel AMR geophysical flow code to support multiple rheologies and extendability NA Simakov, RL Jones-Ivey, A Akhavan-Safaei, H Aghakhani, MD Jones, ... International Conference on High Performance Computing, 101-112, 2019 | 10 | 2019 |
| A distal disulfide bridge in OXA-1 β-lactamase stabilizes the catalytic center and alters the dynamics of the specificity determining Ω loop N Simakov, DA Leonard, JC Smith, T Wymore, A Szarecka The Journal of Physical Chemistry B 121 (15), 3285-3296, 2017 | 9 | 2017 |
