Username:
adilson-freitas

Title:
Dr.

First Name:
Adilson

Last Name:
Freitas

Published Name:
Adilson A. Freitas

ORCID:
https://orcid.org/0000-0002-6119-9602

OpenKIM User ID:
1f950e2b-798c-494f-b273-ead65bf53799



Institution:
University of Lisbon

Department:
Instituto Superior Técnico

Country:
PT

Website:


Biography:
Adilson Freitas is a contracted Senior Research Chemist in University of Lisbon and Invited Assistant Professor in University of Lisbon, Instituto Superior Técnico. He received his BSc in Chemistry in 1998, his MSc degree in 2001 and his PhD degree in Physical Chemistry in 2005 at University of Sao Paulo, Brazil. Works in the area of Chemical Sciences, with emphasis in Physical Chemistry and Physical Organic Chemistry. He has more than 20 years of experience in DFT, ab initio and semi-empirical computational methods, contributing on reparameterization of the PCM solvation model, theoretical pKa calculations, electronic transitions, and reactivity analysis. Since 2014 he has been actively working on MD simulations of many chemical and thermophysical aspects of pure Ionic Liquids, IL in mixtures, IL in solutions, liquid-liquid and solid-liquid interfaces.

Description of Work:
His research interests are kinetics and thermodynamics of ultrafast processes in organized systems; chemistry and photophysics of flavylium salts, anthocyanins and pyranoanthocyanins; structure and dynamics of ionic liquids and other concentrated electrolytes; cement chemistry; linear free energy relationships (LFERs).


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Developer of the following OpenKIM content:
Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000


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