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Start Over Graduate Program Mechanical Engineering (PHD) Committee Member Donghai Wang Keyword ReaxFF

1. Modeling and understanding surface/electrolyte interactions in MXene supercapacitors

open_access
Open Access
Author:
Ganeshan, Karthik
Title:
Modeling and understanding surface/electrolyte interactions in MXene supercapacitors
Graduate Program:
Mechanical Engineering (PHD)
Keywords:
Energy storage
Supercapacitors
ReaxFF
Atomic-scale simulations
Finite Element Method
Boltzmann Transport Equation
Rarefied flow
MXene
Birnessite
Nuclear Quantum Effects
Path-Integral Molecular Dynamics
File:
Download Dissertation_v1.4.14.pdf
Committee Members:
Bladimir Ramos Alvarado, Major Field Member
Donghai Wang, Major Field Member
Ismaila Dabo, Outside Unit, Field & Minor Member
David Williams, Co-Chair & Dissertation Advisor
Daniel Connell Haworth, Professor in Charge/Director of Graduate Studies
Adri van Duin, Co-Chair & Dissertation Advisor

2. Reaxff And eReaxff Reactive Force Field Development And Applications To Energy Storage Interfaces

open_access
Open Access
Author:
Hossain, Md Jamil
Title:
Reaxff And eReaxff Reactive Force Field Development And Applications To Energy Storage Interfaces
Graduate Program:
Mechanical Engineering (PHD)
Keywords:
ReaxFF
eReaxFF
Reactive Force Field
Reactive Molecular Dynamics
Computational Chemistry
Energy Storage
Interfaces
Lithium ion Battery
Solid Electrolyte Interphase
Solid Oxide
Electrocatalysis
graphene
Electron Conduction
Accelerated Molecular Dynamics
Parallel Replica Dynamics
Collective Variable Hyperdynamics
File:
Download PhD_Dissertation_Md_Jamil_Hossain.pdf
Committee Members:
Donghai Wang, Major Field Member
Chao-Yang Wang, Major Field Member
Michael Janik, Outside Unit & Field Member
Adri van Duin, Chair & Dissertation Advisor
Daniel Haworth, Professor in Charge/Director of Graduate Studies