Computational Materials Science

Computational Materials Science by June Gunn Lee


ISBN
9781498749732
Published
Binding
Hardcover
Pages
376
Dimensions
156 x 234mm

This book covers the essentials of Computational Science and gives tools and techniques to solve materials science problems using molecular dynamics (MD) and first-principles methods. The new edition expands upon the density functional theory (DFT) and how the original DFT has advanced to a more accurate level by GGA+U and hybrid-functional methods. It offers 14 new worked examples in the LAMMPS, Quantum Espresso, VASP and MedeA-VASP programs, including computation of stress-strain behavior of Si-CNT composite, mean-squared displacement (MSD) of ZrO2-Y2O3, band structure and phonon spectra of silicon, and Mo-S battery system. It discusses methods once considered too expensive but that are now cost-effective. New examples also include various post-processed results using VESTA, VMD, VTST, and MedeA.
201.99


This product is unable to be ordered online. Please check in-store availability.
Enter your Postcode or Suburb to view availability and delivery times.

You might also like


RRP refers to the Recommended Retail Price as set out by the original publisher at time of release.
The RRP set by overseas publishers may vary to those set by local publishers due to exchange rates and shipping costs.
Due to our competitive pricing, we may have not sold all products at their original RRP.