Research overview
Earth • Energy • Environment
A main focus of the Maupin group deals with our responsibilities as good stewards of the Earth. Two fundamental components of good stewardship are the effective manage of natural resources and the minimization of our impact on the environment. As conscientious chemical engineers our task is to provide low cost energy and materials in a renewable fashion that has a minimal impact on the envrionment. To achieve this goal we need to expand our understanding of energy and material science in an effort to create more efficient, cost effective, and greener (renewable) energy and material atlternatives.
Biochemistry • Biophysics • Biomedical
Nature has created/evolved many solutions to complex problems that as engineers we can use as templates to solve some of our societies most critical issues. The Maupin group is actively studying the underlying physics of biological process that may be utilized as templates for the createion of biomimetic solutions. In addition, the Maupin group is involved in biomedical research focused on the creation of chemical compounds/drugs that may be used for diagnostic purposes, reduction/elimination of pain, and/or the reduction/elimination of adverse symptoms of several neurological dissorders.
Methods
- Computer simulations are the tools used in our group to study the underlying chemistry and physics involved in critical chemical engineeering issues. Some of the various computational methods that are employed include:
- Docking calculations (Autodock)
- Bioinformatics (DockoMatic)
- ab initio calculations (Gaussian 09)
- Molecular dynamic simulations
- Method/theory development is another vital component of our research. Areas of active development in our group include:
- enhanced sampling techniques
- pKa calculations
- force field development
- utilization of GPU architecture in codes
- Some of the various research topics include:
- Biofuel corrosion
- Enzymatic degredation of cellulose
- Metal chlorides as catalysts for the conversion of cellulose to 5-HMF
- Ionic liquids as green solvents
- Dissolution of cellulose utilizing ionic liquids
- CO2 sequestration utilizing ionic liquids
- Functionalized membranes for gas (CO2) separation
- Functionalized membranes for water purification
- Biological and biomimetic Channels
- Functionalized CNT channels
- Biological motors