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Author:

Dasgupta, Nabankur

Title:

Development and Applications of ReaxFF Methodologies for Electrolytes and Polymers

Graduate Program:

Engineering Science and Mechanics

Keywords:

ReaxFF force field
molecular dynamics
electrolytes
polymers
mesoporous silica materials
bond boost

File:

Download PhD_dissertation_Nabankur.pdf

Committee Members:

Kristen Fichthorn, Outside Unit, Field & Minor Member
Charles Bakis, Major Field Member
Francesco Costanzo, Co-Chair of Committee
Adri van Duin, Co-Chair & Dissertation Advisor
Albert Segall, Program Head/Chair