Computational tools to explore and create a database of new materials
D.S. Jayalakshmi
Broschiertes Buch

Computational tools to explore and create a database of new materials

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In current era, the innovative novel materials are playing a vital role in science, Technology, medical field and in our day to day life. The computational codes are very helpful tool for the materials science researchers, to propose novel sophisticated materials. Tools are enable high throughput atomistic, model development and DFT (Density Functional Theory) simulations. First Principles calculations, particularly calculations based on DFT, have been broadly established as in atomic, molecular and nowadays even in nano scale materials design. First Principles calculations carried out in a hi...