Texas Tech University

Adelia Aquino, Ph.D.

Associate Professor of Practice

Email: adelia.aquino@ttu.edu

Phone: 806.834.5946

Fax: 806.742.3540

Office: ME 205

Research Website:


Research Interests

Computer simulations based on quantum chemical methods applied to energy, renewable energy, biological and environmental related fields: 

  • modeling basic interactions in molecular models of humic substances such as nanopores and wet regions;  
  • the interaction between mineral surfaces and different organic compounds;
  • modeling of defect transport in DNA;  
  • excited-state proton transfer; 
  • modeling of graphene defects;
  • organic photovoltaic processes; 
  • spectroscopic properties and solvent effect of natural pigments;
  • combustion reactions on different mineral surfaces; and 
  • electron transfer reaction in the catalytic cycle of cytochrome P450 enzymes.

Personal Information

Curriculum Vitae


  • Ph.D. Chemistry, Universidade de São Paulo, Brazil, 1991. Thesis: An ab-initio study of the molecules P2O, P2O+, N2S and N2S+ Advisor: Fernando Rei Ornellas 
  • M.S. Chemistry, Universidade de São Paulo, Brazil, 1984. Thesis: Studies on the polythiazil polymer using molecular orbital theory   Advisor: Milan Trsic
  • Teaching Credentials Chemistry, Universidade de Brasília, Brazil, 1982. 
  • B.S. Chemistry, Universidade de Brasília, Brazil, 1979.


Department of Mechanical Engineering