Search

Start Over Degree B S Year 2019 Keyword Gromacs Author Last Name Cai

1. A study of solvation energy using molecular dynamics and density functional theory

open_access
Open Access
Author:
Cai, Yusheng
Title:
A study of solvation energy using molecular dynamics and density functional theory
Area of Honors:
Chemical Engineering
Keywords:
Molecular Dynamics
Density Functional Theory
Solvation energy
Thermodynamic integration
Gromacs
proton
water
File:
Download Senior_Thesis_4_8_2019.pdf
Thesis Supervisors:
Scott Thomas Milner, Thesis Supervisor
Dr. Wayne Roger Curtis, Thesis Honors Advisor