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.
ABOUT ME
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.
RESEARCH INTERESTS
- 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
RESEARCH & DEVELOPMENT
Energetic Material:
Combustion Reaction Between Metal Surface and Different Oxidizers.
AWARDS
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
KEY COLLABORATORS AND PARTNERS
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