Computational Methods in Materials Science (NANO*3600)

Code and section: NANO*3600*01

Term: Winter 2022

Instructor: Alexandros Gezerlis


Course Information


Name Role Email
Alex Gezerlis Professor
Aman Agarwal Teaching Assistant

Office Hours

  • I will typically be available both before and after lecture 
  • Alternative arrangements can be made via email

Class meetings

Component Day Time Location
Lectures* Tuesday, Thursday 8:30 am – 9:50 am MCKN 228
Lab** Thursday 2:30 pm – 4:20 pm THRN 1319

*(We’ll discuss start time and makeup lectures in class)
**(Room is reserved longer, but labs will be at most 2 hours long)

Course Materials

Required textbook

Recommended texts

Online resources on Python

Lecture Content

This is a first course on what is known as computational science or scientific computing. We will focus on the interplay between science problem, mathematical formulation, and computational implementation. The lectures will mainly focus on math and programming, so most of the scientific content will be embedded in the assignment problems. Previous exposure to programming is not required but will certainly be beneficial. We will cover the essentials on the following subjects:

  • Idiomatic Python
  • Precision and errors
  • Differentiation
  • Linear algebra
  • Root-finding
  • Interpolation and fitting
  • Integration
  • Differential equations


There will be 5 assignments, with the following tentative timeline:

  • First assignment: Posted January 18, Due February 4
  • Second assignment: Posted February 4, Due February 18
  • Third assignment: Posted February 18, Due March 11
  • Fourth assignment: Posted March 11, Due March 25
  • Fifth assignment: Posted March 25, Due April 8


50% Assignments+Labs
50% In-person final exam

Course Statements

Course policy regarding grading

Each homework assignment should be handed in on the due date before the lecture begins. There will be a significant penalty for late assignments (20% per 24 hours), unless special arrangements are made ahead of time.
Course policy regarding use of electronic devices and recording of lectures

Electronic recording policy

Electronic recording of classes is expressly forbidden without consent of the instructor.  When recordings are permitted they are solely for the use of the authorized student and may not be reproduced, or transmitted to others, without the express written consent of the instructor.

University Statements

Email Communication

As per university regulations, all students are required to check their e-mail account regularly: e-mail is the official route of communication between the University and its students.

When You Cannot Meet a Course Requirement

When you find yourself unable to meet an in-course requirement because of illness or compassionate reasons please advise the course instructor (or designated person, such as a teaching assistant) in writing, with your name, id#, and e-mail contact. The grounds for Academic Consideration are detailed in the Undergraduate and Graduate Calendars.

Drop Date

Students will have until the last day of classes to drop courses without academic penalty. The deadline to drop two-semester courses will be the last day of classes in the second semester. This applies to all students (undergraduate, graduate and diploma) except for Doctor of Veterinary Medicine and Associate Diploma in Veterinary Technology (conventional and alternative delivery) students. The regulations and procedures for course registration are available in their respective Academic Calendars.

Copies of Out-of-class Assignments

Keep paper and/or other reliable back-up copies of all out-of-class assignments: you may be asked to resubmit work at any time.


The University promotes the full participation of students who experience disabilities in their academic programs. To that end, the provision of academic accommodation is a shared responsibility between the University and the student.

When accommodations are needed, the student is required to first register with Student Accessibility Services (SAS). Documentation to substantiate the existence of a disability is required; however, interim accommodations may be possible while that process is underway.

Accommodations are available for both permanent and temporary disabilities. It should be noted that common illnesses such as a cold or the flu do not constitute a disability.

Use of the SAS Exam Centre requires students to book their exams at least 7 days in advance and not later than the 40th Class Day.

For Guelph students, information can be found on the SAS website

Academic Integrity

The University of Guelph is committed to upholding the highest standards of academic integrity, and it is the responsibility of all members of the University community-faculty, staff, and students-to be aware of what constitutes academic misconduct and to do as much as possible to prevent academic offences from occurring. University of Guelph students have the responsibility of abiding by the University's policy on academic misconduct regardless of their location of study; faculty, staff, and students have the responsibility of supporting an environment that encourages academic integrity. Students need to remain aware that instructors have access to and the right to use electronic and other means of detection.

Please note: Whether or not a student intended to commit academic misconduct is not relevant for a finding of guilt. Hurried or careless submission of assignments does not excuse students from responsibility for verifying the academic integrity of their work before submitting it. Students who are in any doubt as to whether an action on their part could be construed as an academic offence should consult with a faculty member or faculty advisor.

Recording of Materials

Presentations that are made in relation to course work - including lectures - cannot be recorded or copied without the permission of the presenter, whether the instructor, a student, or guest lecturer. Material recorded with permission is restricted to use for that course unless further permission is granted.


The Academic Calendars are the source of information about the University of Guelph’s procedures, policies, and regulations that apply to undergraduate, graduate, and diploma programs.

Academic Calendars