• 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)
Listed skills include Statistics, Science, University Teaching, Research, and 11 others.