Computational Methods in Various aspects of Materials Performance

This book focuses on the computational methods used in understanding various material phenomena. It is divided into four chapters. The first chapter is based on computational studies of the vibrations of different molecules. The second chapter shows the computational modeling of epitaxial thin film growth by sputtering. The third chapter gives simulated M-H plots and exchange bias occurring in ferromagnetic/antiferromagnetic layers. The last chapter deals with the kinetic study of nanoparticle drug delivery. The experimental work given in Chapter 3 has been carried out at Indian Association for the Cultivation of science, Calcutta and Nuclear Science Centre, New Delhi. Computational work and data Analysis has been done in this project.