Solvent effects in molecular photophysics and spectroscopy: application of free energy gradient methodology

• Grant number: 14/12607-0
• Support Opportunities: Scholarships abroad - Research Internship - Doctorate
• Start date: October 01, 2014
• End date: March 31, 2015
• Field of knowledge: Physical Sciences and Mathematics - Physics - Atomic and Molecular Physics
• Principal Investigator: Sylvio Roberto Accioly Canuto
• Grantee: Carlos Eduardo Bistafa da Silva
• Supervisor: Masataka Nagaoka
• Host Institution: Instituto de Física (IF). Universidade de São Paulo (USP). São Paulo , SP, Brazil
• Institution abroad: Nagoya University, Japan

Abstract

In this project, we will make applications of the Free Energy Gradient Method, developed in Nagoya University, combining it with the hybrid methodology Sequential-QM/MM, developed in our group, for study the non-radiative decay of organic molecules in solution. (AU)