Adelia Aquino

Adelia Aquino, Ph.D.
Associate Professor of Practice

Department of Mechanical Engineering
Texas Tech University

As a chemist I am working in different branches of Quantum Chemistry with emphasis on the simulation of biological systems and on environmental issues in the field of Soil Sciences.

I also investigate combustion reactions involving mineral surfaces to develop highly energetic materials.


My research is focused on computer simulations based on quantum chemical methods applied to energy, renewable energy, biological, environmental and related fields.

I am an associate professor of practice with extensive experience as both a researcher and professor at multiple universities and in other areas of science and engineering. Since 1981 I am a member of the Sociedade Brasileira de Química (Brazilian Chemistry Society) and since 2013 I am a member of the American Chemical Society. I participate in multiple other organization committees of academic activities.


  • 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
  • electron transfer reaction in the catalytic cycle of cytochrome P450 enzymes
  • combustion reactions including different mineral surfaces


Master and PhD fellowships awarded by the Coordination of Improvement of Higher Education Personnel (CAPES), from January 1983-June 1984 and August 1987-June 1990, respectively, São Paulo, SP, Brazil

Post-doc fellowships awarded by the National Council for Scientific and Technological Development (CNPq) and San Diego Computer Center, from Jan 1994-December 1995 and
Jan.1996-Feb1997, respectively, San Diego, CA, USA.

Lisa Meitner fellowship awarded by the Austrian Research Centers, Seibersdorf, from March 1999 to December 2002, Vienna, Austria


Texas Tech University – Lischka, Hans; Pantoya, Michelle L.; Krempner, Clemens; Poirier, Bill; Korzenieviski, Carol; Quitevis, Edward; Mechref, Yehia; Malmali, Mahdi; Moussa, Hanna; Eckert, Juergen; Li, Guigen; Nieman, Reed. 

Wageningen University, The Netherlands – Zuilhof, Han Institute of Organic Chemistry and Biochemistry 

Academy of Sciences, Czech Republic – Nachtigallova, Dana 

Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences – Georgieva, Ivelina 

Aix Marseille Université, France – Barbatti, Mario 

Loughborough University, England – Plasser, Felix 

Univ of Natural Research and Life Science, Vienna – Gerzabek, Martin; Tunega, Daniel, 

Palacky University Olomouc, Czech Republic – Otyepka, Michal 

Technological Institute of Aeronautics, Brazil -Machado, Francisco 

University of São Paulo, Brazil -Quina, Frank 

Eötvös Loránd University, Hungary – Szalay, Peter 

Goethe-Universitaet, Germany – Burghart, Irene 

Texas A&M University – Green, Micah 

Federal University of Rio de Janeiro, Brazil – Cardoso, Thiag