Monte Carlo simulations of ferroelectric crystal growth and molecular electronic structure of atoms and molecules
In this thesis, we explore two stochastic techniques to study properties of materials in realistic systems. Specifically, the kinetic Monte Carlo (KMC) method is utilized to study the crystal growth process of ferroelectric materials and the quantum Monte Carlo (QMC) approach is used to investigate...
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| Format: | Others |
| Language: | English |
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W&M ScholarWorks
2005
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| Online Access: | https://scholarworks.wm.edu/etd/1539623487 https://scholarworks.wm.edu/cgi/viewcontent.cgi?article=3278&context=etd |