First-Principles Calculations of Novel Materials

Computational material simulation is becoming more and more important as a branch of material science. Depending on the scale of the systems, there are many simulation methods, i.e. first-principles calculation (or ab-initio), molecular dynamics, mesoscale methods and continuum methods. Among them,...

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Bibliographic Details
Other Authors: Sun, Jifeng (authoraut)
Format: Others
Language:English
English
Published: Florida State University
Subjects:
Online Access:http://purl.flvc.org/fsu/fd/FSU_migr_etd-9693