Computational Methods in Materials Science (NANO*3600)
Code and section: NANO*3600*01
Term: Winter 2022
Instructor: Alexandros Gezerlis
Details
Course Information
Instruction
Name | Role | |
---|---|---|
Alex Gezerlis | Professor | gezerlis@uoguelph.ca |
Aman Agarwal | Teaching Assistant | aagarw03@uoguelph.ca |
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
- A. Gezerlis, Numerical Methods in Physics with Python (Cambridge University Press, 2020)
The book is freely available to U of G students here: https://ocul-gue.primo.exlibrisgroup.com/permalink/01OCUL_GUE/mrqn4e/alma9953282523105154
See also the companion website: https://numphyspy.org
Recommended texts
- Mark Newman, Computational Physics (Rev. ed., CreateSpace, 2013)
- Morten Hjorth-Jensen, Computational physics online notes: https://github.com/CompPhysics/ComputationalPhysicsMSU/tree/master/doc/Lectures
Online resources on Python
- (Official) Python tutorial: https://docs.python.org/3/tutorial/
- (My) Python tutorial: https://numphyspy.org/tutorials/python/
- Allen Downey, Think 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
Assignments
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
Grading
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.
- Undergraduate Calendar - Academic Consideration and Appeals
https://www.uoguelph.ca/registrar/calendars/undergraduate/current/c08/c08-ac.shtml - Graduate Calendar - Grounds for Academic Consideration
https://www.uoguelph.ca/registrar/calendars/graduate/current/genreg/index.shtml - Associate Diploma Calendar - Academic Consideration, Appeals and Petitions
https://www.uoguelph.ca/registrar/calendars/diploma/current/index.shtml
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.
- Undergraduate Calendar - Dropping Courses
https://www.uoguelph.ca/registrar/calendars/undergraduate/current/c08/c08-drop.shtml - Graduate Calendar - Registration Changes
https://www.uoguelph.ca/registrar/calendars/graduate/current/genreg/genreg-reg-regchg.shtml - Associate Diploma Calendar - Dropping Courses
https://www.uoguelph.ca/registrar/calendars/diploma/current/c08/c08-drop.shtml
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.
Accessibility
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
https://wellness.uoguelph.ca/accessibility/
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.
- Undergraduate Calendar - Academic Misconduct
https://www.uoguelph.ca/registrar/calendars/undergraduate/current/c08/c08-amisconduct.shtml - Graduate Calendar - Academic Misconduct
https://www.uoguelph.ca/registrar/calendars/graduate/current/genreg/index.shtml
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.
Resources
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.