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 Expert  716621

Expert in Chiral Chromatography, Chirality, Chiral Surfaces, Computational Chemistry, etc.

Available for your Consulting and Expert Witness Needs

Indiana (IN)
Education Work History Career AccomplishmentsPublicationsConsulting Services Expert Witness

Summary of Expertise:

Listed with other top experts in: 

MOLECULAR MODELING. Expert has expertise in implementing quantum mechanics, molecular mechanics, and statistical thermodynamics in tandem with molecular graphics in order to determine the energies, structures, and properties of organic and inorganic molecules. The focus of his research is to understand how chiral surfaces used in chromatography discriminate between enantiomers.



molecular chirality


molecular dynamics


molecular modeling

The macromolecular modeling that Expert carries out uses empirical force fields for molecular mechanics and molecular dynamics of chiral polymers. These polymers are used as chiral stationary phases in chromatography. He evaluates where and how analytes bind to macromolecules.

macromolecular modeling

The interaction of stereoisomers with chiral surfaces is currently being examined by Expert's research group. He uses a variety of experimental methods, such as NMR spectroscopy and atomic force microscopy, and theoretical tools, such as molecular mechanics and molecular dynamics, to explain where enantiomers bind on these surfaces and what forces are responsible for enantiodifferentiation. He has also studied in detail various methods for conformational analysis.


For the past 15 years Expert has been involved with the development, parameterization, and implementation of empirical force fields for molecular mechanics. He routinely uses molecular mechanics to better understand the structures and properties of organic and inorganic molecules. He currently is using this method in studies of structure-activity relationships of drugs, and for studies of molecular recognition.

molecular mechanics


molecular recognition

Expert uses computational methods to expedite his chemical research and render it more practical. He uses quantum mechanics (especially semi-empirical molecular orbital theory), molecular mechanics, and statistical thermodynamics to understand molecular interactions. The focus of his work is on chiral discrimination.

computational chemistry

Show Secondary and Basic Areas of Expertise
Expert may consult nationally and internationally, and is also local to the following cities: Indianapolis, Indiana;  Fort Wayne, Indiana;  Bloomington, Indiana;  Muncie, Indiana;  Anderson, Indiana;  Terre Haute, Indiana;  Lafayette, Indiana;  Cincinnati, Ohio;  Dayton, Ohio;  and Hamilton, Ohio.

Year   Degree   Subject   Institution  
1975   PhD   Chemistry   Montana State University  
1972   BS   Chemistry   State University of New York  

Work History:
Years   Employer   Department   Title   Responsibilities

2000 to


(Undisclosed University)



Director of Chemical Informatics


Develop course content for graduate and undergraduate curriculum in chemical informatics, serve on planning committee for IU School of Informatics

1977 to


(Undisclosed University)



Professor of Chemistry


Teaches graduate and undergraduate students; carries out research in molecular modeling, chiral chromatography, chirality.

1990 to 1990


University of California San Francisco


Pharmaceutical Chemistry


Visiting Professor


1980 to 1981


Princeton University




Visiting Professor


Career Accomplishments:

Expert is a member of ACS, the Quantum Chemistry Program Exchange, and the Indiana Academy of Science.

Professional Appointments

Expert is co-editor of "Reviews in Computational Chemistry" and on the editorial board of "Chirality," and is associate editor of the "Journal of Chemical Information and Computer Science." He has also organized and chaired symposia (e.g. he was the co-founder and first Chairman of the Gordon Research Conferences in Computational Chemistry), and chaired a variety of professional chemical sessions.


He received the Expert's University School of Science Research Award and the Indiana University "Experience Excellence" Award for service. He is in five "Who's Who" listings, including The International Who's Who of Contemporary Achievement, and Who's Who in Frontiers of Science and Technology.

Publications and Patents Summary

He has 145 research papers in the area of molecular simulation and 17 edited books computational chemistry. He has also delivered over 150 lectures.

Selected Publications and Publishers  
 - Wiley-VCH Publishers.  
 - Accounts of Chemical Research  

Consulting Services:
Click the green button above to contact Expert for a free initial screening call regarding your expert consulting needs.  Expert is available for consulting to corporate, legal and government clients.  Remember, your initial screening call to speak with Expert is free.

Expert Witness:
Click the green button above to contact Expert for a free initial screening call regarding expert testimony, litigation consulting and support, forensic services, or any related expert witness services.  A few litigation needs include product liability, personal injury, economic loss, intellectual property (patent, trademark, trade secret, copyright), and insurance matters.  Remember, your initial screening call to speak with Expert is free.

Language Skills:
Foreign Language   Description
Italian   Low level of proficiency

Additional Skills and Services:

Expert has developed varous workshops (internationally) on topics in computational chemistry, especially in the development and uses of empirical force fields for molecular mechanics.

Supplier and Vendor Location and Selection

Expert has experience locating vendors of: * Molecular modeling software * Computational chemistry software.


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