Allen and Tildesley, Computer Simulations of Liquids. 2nd edition. See calendar for reading assignments.
SUPPLEMENTARY TEXTS:
Richard LeSar; Introduction to computational materials science: fundamentals to applications
D. Frenkel and B. Smit, Understanding Molecular Simulation, 2nd edition.
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OBJECTIVE: Important areas of emphasis will be connections between the simulation results and real properties of materials (structural or thermodynamic quantities), as well as numerical algorithms and systematic and statistical error estimations. |
Methods and Applications:
Homework: Every 2 weeks. Counts for 40% of final grade. Assigned on website. Turn in HW on Compass by midnight of Thursday. Penalty for late homework: 10% each day it is late.
Exam: 25% of final grade. The exam will be on-line during normal class hours on Nov. 19th.
Class Project: 30% of final grade. 1-3 person teams, Project proposal due on Oct 22. Project presentations before and during final exam time ( Dec. 18th 1:30-4:30pm) Written reports due at this time. Any late reports will be severely penalized.
Class Participation: 5% of final grade.
Syllabus and Due Dates: See Calendar
Academic Integrity
The University of Illinois at Urbana-Champaign Student Code should also be considered as a part of this syllabus. Students should pay particular attention to Article 1, Part 4: Academic Integrity. Read the Code at the following URL: http://studentcode.illinois.edu/.
Academic dishonesty may result in a failing grade. Every student is expected to review and abide by the Academic Integrity Policy: https://studentcode.illinois.edu/article1/part4/1-401/. Ignorance is not an excuse for any academic dishonesty. It is your responsibility to read this policy to avoid any misunderstanding. Do not hesitate to ask the instructor(s) if you are ever in doubt about what constitutes plagiarism, cheating, or any other breach of academic integrity.
Religious Observances
Illinois law requires the University to reasonably accommodate its students' religious beliefs, observances, and practices in regard to admissions, class attendance, and the scheduling of examinations and work requirements. You should examine this syllabus at the beginning of the semester for potential conflicts between course deadlines and any of your religious observances. If a conflict exists, you should notify your instructor of the conflict and follow the procedure at https://odos.illinois.edu/community-of-care/resources/students/religious-observances/ to request appropriate accommodations. This should be done in the first two weeks of classes.
Disability-Related Accommodations
To obtain disability-related academic adjustments and/or auxiliary aids, students with disabilities must contact the course instructor and the Disability Resources and Educational Services (DRES) as soon as possible. To contact DRES, you may visit 1207 S. Oak St., Champaign, call 333-4603, e-mail disability@illinois.edu or go to https://www.disability.illinois.edu. If you are concerned you have a disability-related condition that is impacting your academic progress, there are academic screening appointments available that can help diagnosis a previously undiagnosed disability. You may access these by visiting the DRES website and selecting “Request an Academic Screening” at the bottom of the page.
This semester presents new challenges for all of us, and many students may not know right away how COVID-19 requirements and procedures may affect their educational experience. ​I am committed to working with you to create a rigorous and flexible learning environment. If at any time you are experiencing difficulty in any aspect of this course due to the pandemic, you are welcome to share your concerns with me. Please note that you never need to share diagnosis or medical information with me.
Diversity
The Grainger College of Engineering is committed to the creation of an anti-racist, inclusive community that welcomes diversity along a number of dimensions, including, but not limited to, race, ethnicity and national origins, gender and gender identity, sexuality, disability status, class, age, or religious beliefs. The effectiveness of this course is dependent upon each of us to create a safe and encouraging learning environment that allows for the open exchange of ideas. Everyone is expected to help establish and maintain an environment where students, staff, and faculty can contribute without fear of personal ridicule, or intolerant or offensive language. If you witness or experience racism, discrimination, micro-aggressions, or other offensive behavior, you are encouraged to bring this to the attention of the course director if you feel comfortable. You can also report these behaviors to the Bias Assessment and Response Team (BART) (https://bart.illinois.edu/). The physics page on Diversity, Equity and Inclusion https://physics.illinois.edu/people/diversity_equity_inclusion includes links to different student groups that have been helpful in the past in providing support for students from underrepresented group