Subin Sahu

Background

About Subin Sahu

Computational scientist with expertise in physics-based and data-driven modeling of complex systems such as bio-molecules, nano-fluidic systems, liquid crystal membranes • Experienced in Computer-Aided Drug Design methods such as lead optimization, virtual screening, molecular docking, conformer generation, QSAR, • Proficient in data analysis using software packages and homegrown code • Proficient in high-performance computing in CPU and GPU clusters (Slurm, PBS, MPI) • Proficient in several mid to high-level programming languages.(Python, Fortran, C, BASIC) • Considerable experience with scripting languages (TCL, Bash, Awk) • Proficient in statistical analysis, propagation of error, and parametric & non-parametric tests (Pandas, NumPy Excel, R) • Familiarity with machine learning methods: QSAR, linear regression, logistic regression, neural network, support vector machine, dimensionality reduction, anomaly detection, recommender system • Familiarity with data query language (SQL) • Proficient in typesetting, data visualization, and graphics (LaTeX, Gnuplot, pyplot) • Expert in all-atom molecular dynamics simulation and coarse-grained simulation (NAMD, GROMACS, Martini force field) • Proficient in modeling, visualization, and analysis of bio-molecules and nanofluidic devices (VMD, POV-Ray, COMSOL Multiphysics) • Proficient in scientific computing, molecular modeling, Monte Carlo simulation, finite element methods (SciPy, COMSOL, Multiphysics)