Atomistic Simulations of Materials: Methods for Accurate Potentials and Realistic Time-Scales

Atomistic Simulations of Materials: Methods for Accurate Potentials and Realistic Time-Scales

<p>This thesis deals with achieving more realistic atomistic simulations of materials, by developing accurate and robust force-fields, and algorithms for practical time scales.</p> <p>I develop a formalism for generating interatomic potentials for simulating atomistic phenomena...

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Bibliographic Details
Main Author: Tiwary, Pratyush
Format: Others
Published: 2012
Online Access:https://thesis.library.caltech.edu/7104/1/pt_thesis.pdf
Tiwary, Pratyush (2012) Atomistic Simulations of Materials: Methods for Accurate Potentials and Realistic Time-Scales. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/J8W9-XS70. https://resolver.caltech.edu/CaltechTHESIS:05302012-182258575 <https://resolver.caltech.edu/CaltechTHESIS:05302012-182258575>

Internet

https://thesis.library.caltech.edu/7104/1/pt_thesis.pdf
Tiwary, Pratyush (2012) Atomistic Simulations of Materials: Methods for Accurate Potentials and Realistic Time-Scales. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/J8W9-XS70. https://resolver.caltech.edu/CaltechTHESIS:05302012-182258575 <https://resolver.caltech.edu/CaltechTHESIS:05302012-182258575>

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