Computational chemistry

Campus: St. John's Faculty: Faculty of Science
Department: Chemistry Honours available: Yes
Degree(s): Bachelor of science; Joint arts and science degree
Length: Four years
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Computational chemistry uses computers and software to model the behaviour and properties of chemical systems, from individual atoms to the large proteins found in living things. These models lead to the design of molecules for new drugs and materials in medicine, and new ways to store and transport energy and information.

Chemistry at Memorial

The Department of Chemistry has state-of-the-art spectroscopic and other analytical instrumentation as well as the high performance computer facilities of ACEnet. We also have extensive computing facilities for chemistry majors and honours students.

Admission requirements

You may apply for admission into the Faculty of Science by indicating bachelor of science as your program choice on the undergraduate application for admission.

Direct entry into the Faculty of Science from high school is subject to meeting the general admission requirements for Memorial University, including appropriate courses in mathematics and a laboratory science.

Admission to the major

In order to declare the computational chemistry major, you must complete 30 credit hours (10 courses), including the following:

  • six credit hours in chemistry
  • six credit hours in mathematics
  • six credit hours in physics
  • six credit hours in computer science
  • six credit hours in critical reading and writing (CRW) courses, including at least three credit hours in English

You are expected to achieve a 65% average or better in your first-year chemistry, mathematics and physics courses.

Upon completion of these courses, you must contact the Department of Chemistry to declare the major. You are encouraged to complete these courses in your first two semesters. Exceptional students may be accepted as chemistry majors after one semester.

Sample first year

Wondering what courses you would take in your first year? Check out a sample program of suggested courses for computational chemistry students.

Sample courses beyond first year

CHEM 2302 - Quantum Chemistry and Spectroscopy
CHEM 3303 - Statistical Thermodynamics and Rate Theories
COMP 3731 - Introduction to Scientific Computing

Career opportunities

A bachelor of science degree, with a major in computational chemistry, prepares students for a variety of careers including:

  • crystallography
  • database development
  • environmental science
  • scientific software developers
  • research associate
  • geosciences
  • forensics

Note: some of these careers may call for supplementary education or preparation in the form of graduate studies, experiential learning or professional courses and exams.