Ab initio simulation methods for the electronic and structural properties of materials applied to molecules, clusters, nanocrystals, and liquids

Ab initio simulation methods for the electronic and structural properties of materials applied to molecules, clusters, nanocrystals, and liquids

Computational approaches play an important role in today's materials science owing to the remarkable advances in modern supercomputing architecture and algorithms. Ab initio simulations solely based on a quantum description of matter are now very able to tackle materials problems in which the s...

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Bibliographic Details
Main Author: Kim, Minjung, active 21st century
Format: Others
Published: 2014
Subjects:
Density functional theory
Electronic structure calculations
Real-space pseudopotentials
Ab initio molecular dynamics simulations
Oxide nanocrystals and nanoclusters
Non-contact Atomic Force Microscopy simulations
Online Access:http://hdl.handle.net/2152/25099

Internet

http://hdl.handle.net/2152/25099

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