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Numerical methods are the mathematical procedures that approximate the solution of complex mathematical problems into much simpler form and which find a wide variety of use while solving complex Physical Chemistry problems. This book aims to aide in understanding of such numerical methods including solving complex differential equations and numerical differentiation & integration. Moreover it also explains various statistical tests used in Analytical Chemistry for data analysis. The author has tried to include as many example from Chemistry problems for a better understanding of the methods.
Research in Molecular Modeling with hands on expertise at Schrodinger, Gaussian, Material Studio, Hyperchem.
Have done extensive studies on free radicals, antioxidants and anti ageing drugs.
A computational chemist with Density functional theory being the major forte.
Protein protein interactions in life sciences theoretical studies