Apr 19, 2024  
2018-2019 Graduate Catalog 
    
2018-2019 Graduate Catalog [ARCHIVED CATALOG]

Theoretical and Computational Chemistry, Ph.D.


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SMU is the first university to offer a dedicated direct bachelors-to-Ph.D. degree program in theoretical and computational chemistry based on a four-year (66 credit hour) curriculum.

Theoretical Chemistry comprises several disciplines such as quantum chemistry, reaction dynamics, molecular mechanics and molecular dynamics, molecular modeling, statistical mechanics and quantum statistics, synergetics (nonlinear thermodynamics), etc. Among these disciplines, quantum chemistry is by far the strongest field as is documented by hundreds of investigations and research projects carried out every year.

Although very often the terms theoretical chemistry and computational chemistry are synonymously used, both fields are not identical. In general, a discipline of theoretical chemistry such as synergetics is not necessarily considered a part of computational chemistry, whereas on the other hand, fields such as chemometrics, neural networks or computer-assisted synthesis clearly belong to computational chemistry rather than theoretical chemistry.

Research of the Computational and Theoretical Chemistry Group (CATCO) used to focus on quantum chemistry and Reaction Dynamics. However, in recent years, molecular modeling of larger molecules has become also important. Research at CATCO has moved from the small-molecule world into the large-molecule world, concentrating now more on biomolecules, engaging in drug design, and introducing computational nanotechnology. For additional details on CATCO research, see smu.edu/CATCO.

Admission Requirements

In addition to meeting the general requirements described under Dedman College: Admission  in the General Information  section of this catalog, applicants are required to take the GRE general graduate school admission test. Applicants who do not speak English as their native language are required to supply scores on the TOEFL English language proficiency test or the IELTS English competency test. Three letters of recommendation are required.

Financial aid is available in the form of teaching/research assistantships, which include the waiver of tuition and fees.

Degree Requirements


Elective or Special Topics Courses (6 Credit Hours)


Two courses chosen with the consent of adviser:

Instructional Training - Mandatory Teaching Assistantship (2 Credit Hours)


Additional Requirements (7 Credit Hours)


Research Courses (18 Credit Hours)


Candidacy (2 Credit Hours)


For admission to candidacy for the Ph.D. degree, the student must pass the following additional qualifying requirements:

  • CHEM 7233 - Research Synopsis and Objectives   
  • Written summary of already published paper(s) or a summary of research results to be published and evaluated by a faculty committee
  • Oral presentation of the summary and discussion of the future plans of the dissertation research program in front of a faculty committee
  • Attendance at the CATCO group meetings including oral presentations of research progress in new topics in the field
  • Attendance at the annual CATCO workshop (second week in December)
  • Training in the use of modern computational chemistry packages and successful completion of all workshop exercises and a workshop exam
  • Poster presentation at SMU’s annual Research Day

Defense of Thesis (12 Credit Hours)


Each student must complete a significant body of research, write a dissertation (CHEM 8698  - CHEM 8699 ) summarizing the published work (at least five peer-refereed articles are recommended), orally present this work before the department, and defend this work in front of a faculty committee.

Note: CATCO seniors (i.e. research professors and postdoctoral research fellows within CATCO) meet at the end of each fall and spring semester to evaluate each student’s progress.  Students will be informed of their progress in writing.

Total: 66 Credit Hours


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