Computational Materials Science

Computational Materials Science is comparatively a novel, rapidly emerging area of research that takes along elements from materials science, mechanical engineering, mathematics, physics, chemistry, and computer science. Computational Materials Science improves the interaction between computational work and experimental materials research on existing and advancing materials and their applications. The computational modelling of Materials involves the synthesis, processing, characterization of structures and devices to numerical methodology. Few of the computational techniques includes molecular dynamics, electronic structure calculations, phasefield, photonics using spectral methods for enhancing materials discovery. The computer vision can systematise and speed up the examination of microscope images and disclose structure-property relationships.