1. A study of solvation energy using molecular dynamics and density functional theory 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 DynamicsDensity Functional TheorySolvation energyThermodynamic integrationGromacsprotonwater File: Download Senior_Thesis_4_8_2019.pdf Thesis Supervisors: Scott Thomas Milner, Thesis SupervisorDr. Wayne Roger Curtis, Thesis Honors Advisor
