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Syllabus

ME 4331 - Individual Study in Mechanical Engineering: Combustion Reactions on Mineral Surfaces Research - Dr. Aquino's Research Group - Spring 2025

Instructors

Dr. Adelia Aquino

Email: adelia.aquino@ttu.edu

Office: MEN 205

Jeremy Schroeder

Email: jerschro@ttu.edu

Cell: (972)-743-0065

Office: MEN 216A

Please schedule an appointment to meet with the instructors.

Meeting Times

  • Meeting With Jeremy - Tuesdays at 9:30 in MEN 216A.
  • Group Meeting - Thursdays at 5:15pm in MEN 103.

Goals For The Semester

  • Learn how to manipulate and control a computer through the command line.
  • Learn the basics of how to create a molecular model.
  • Learn how to submit an optimization calculation and what it is.
  • Learn how to submit an frequency calculation and what it is.
  • Learn the steps on how to write a research report and turn in your final report at the end of the semester.

Grading Procedures

Final Grade Distribution:

  • 60% of final grade is for reports.
  • 40% of final grade is an average of each weekly grade received.

For every week, you will be expected to

  • Attend Dr. Aquino's group meeting.
  • Meet/Check in with Jeremy or Dr. Aquino.
  • Keep up with calculations/semester report and ask for help when you have questions.
  • Complete and show Jeremy or Dr. Aquino the assignment of the week.

The weekly grade will be on a scale of 0-100. For every meeting not attended without a legitimate reason, 50 points will be deducted from the weekly grade.

  • 0-60: Means you did not do any work from last week.
  • 60-75: Some progress was done.
  • 75-90: Considerable progress was achieved but not adequate enough for the expectations given.
  • 90-100: Everything was completed that was asked. Attended both meetings.

Calendar for Fall 24 (New Members)

Week # Dates Overview Objective Assignment
1&2 1/15 - 1/24 Intro to HPCC Create an HPCC account. Show me the email confirmation of the HPCC account.
3 1/27 - 1/31 Intro to Terminal & DFT Get familiar with the terminal & Lesson 1. Show me Assignment 1.
4 2/3 - 2/7 Intro to DFT (cont.) & Turbomole Optimization Lesson 2 & Lesson 3 Get the 4 DNA molecules on the HPCC and use molden/other visualization program to look at them. Optimize the 4 DNA molecules. Show me your results.
5 2/10 - 2/14 Solvent & Frequency Calculations Lesson 4 & Lesson 5 Do solvent & frequency calculations for the 4 DNA molecules. Show me your results.
6 2/17 - 2/21 Academic Writing Lesson 6 Show me your report draft.
7 2/24 - 2/28 Adsorption Reactions Lesson 7 Show me your assigned complex and optimize it.
8 3/3 - 3/7 Interpreting Results Lesson 8 Show me your reactant and products optimization calculation. Show proof you submitted your rough draft on time to Dr. Aquino.
9 3/10 - 3/14 Optimization Results Let's post process the optimization results. Show me your excel file with optimization results.
9 3/13 Semester Report Draft Due Send to Dr. Aquino DO NOT TURN IT IN LATE! IT IS DUE BY 10:30 PM. LATE WORK IS NOT ACCEPTED.
10 3/17 - 3/21 Spring Break Relax! None
11 3/24 - 3/28 Complex Work Continue work on your assigned complex. Do frequency calculations on your complex.
12 3/31 - 4/4 Complex Results Let's post process the frequency results. Show me your excel file with frequency results.
13 4/7 - 4/11 Calculations & Final Report Work on calculations and final report. Show me your progress from the past week.
14 4/14 - 4/18 Calculations & Final Report Work on calculations and final report. Show me your progress from the past week.
15 4/21 - 4/25 Calculations & Final Report Work on calculations and final report. Turn in your current version of the Final Report to one of the grad students for them to make comments and suggestions.
16 4/28 - 5/2 Final Week Last minute Final Report edits and turn in the Final Report. Show proof you turned in the Final Report.
16 5/1 Semester Final Report Due Send to Dr. Aquino DO NOT TURN IT IN LATE! IT IS DUE BY 10:30 PM. LATE WORK IS NOT ACCEPTED.
  • Deadlines are tentative as of 1/27.

Calendar for Fall 24 (Returning Members)

Dr. Aquino and Jeremy will discuss with you on what your work plan each week should look like. You will still be held to the same grading standard of weekly assignments, submitting a semester report draft and a final report. This calendar below only includes the major deadlines.

Week # Dates Overview Objective Assignment
9 3/13 Semester Report Draft Due Send to Dr. Aquino DO NOT TURN IT IN LATE! IT IS DUE BY 10:30 PM. LATE WORK IS NOT ACCEPTED.
16 5/1 Semester Final Report Due Send to Dr. Aquino DO NOT TURN IT IN LATE! IT IS DUE BY 10:30 PM. LATE WORK IS NOT ACCEPTED.
  • Deadlines are tentative as of 1/27.