Nikolay Simakov

Dr. Nikolay Simakov is a Computational Scientist at the University at Buffalo's Center for Computational Research (CCR), joining in 2012. He holds a PhD in Computational Chemistry from Carnegie Mellon University, alongside BA and MA degrees in Applied Physics and Mathematics from Moscow Institute of Physics and Technology.

• Research Interests: High-Performance Computing (HPC), Machine Learning, Scientific Software Optimization, Data Analytics for Large Datasets, and Simulation of Biomolecular Systems
• Teaching: Taught graduate courses like EAS509 Statistical Learning and Data Mining-II and CDA501 Introduction to Data Driven Analysis, mentoring undergraduate interns at CCR
• Key Contributions: Developed Slurm Simulator for HPC scheduling, contributed to XDMoD/ACCESS Metrics for resource auditing, optimized GPU-based Poisson equation solvers, and advanced multi-rheology geophysical flow modeling
• Technical Focus: Performance monitoring of HPC systems, node sharing analysis, and ARM architecture benchmarking

His work bridges computational infrastructure optimization and biological system modeling, with publications spanning HPC resource management, biomolecular simulations, and parallel computing frameworks.