Looking to bring computation to your chemistry learning space? Get help and feedback from a vibrant community of chemical educators with decades of experience at our annual workshop.
June 15 - 17
Hybrid - in person & online
Collier Hall of Science (CHS) 206
June 16 - 18
Hybrid - in person & online via Zoom
Residence hall rooms are available
Tentative Schedule (in EDT):
Noon - Lunch on your own
Delight's Cafe is next door in the Health Science Building
1 pm Welcome & Introductions
Computational Chemistry: Review of MoleCVUE's activity template
2 pm Group work - activity evaluation
Are the objectives & directions clear?
Do the instructions work?
Are the results consistent with the web page archive?
3:30 pm Group reports & discussion
How can the MoleCVUE template be improved?
How generally applicable is it to computational problems?
4:30 pm Brainstorm
Proritizing next activities to develop
5:30 pm Depart for Carl's house
8 am Breakfast in CHS 206
9 am Group reports
11 am Round Robin - "Ask someone a question"
11:45 am Closing - Invitation to SUNY Oneonta in 2022
Noon Business meeting
1:30 pm Moravian Physical Chemistry laboratory tour, if there is interest
Computational Chemistry in the Curriculum
A curated list of resources for incorporating computational chemistry into the curriculum. As a continuous work in progress , this list may contain omissions that are purely accidental. Please feel free to send missing links or new material to MoleCVUE.
Computational activities grouped by chemistry course.
Need a particular basis set for an element? Here's where to find them.
Whether you're designing a small module or an entire course, these syllabi, slides, exams and assignments are good points of reference.
RSC Learn Chemistry: Computational Chemistry - Introductory handouts, videos, exercises and assessment materials.
Designing a new activity and want to check your results against known experimental and theoretical values?
These sites eliminate the need for a local cluster.
Chem Compute - Free server for undergraduate teaching and research
MERCURY Consortium - Primarily Undergraduate Institutions across the USA
North Carolina High School Computational Chemistry Server - Serving North Carolina students & teachers
Computational pedagogy grouped by delivery method.
These digital texts maybe helpful for more than just online courses.
A large amount of computational chemistry software exists and keeping track of it can be tricky.
MolSSI Molecular Software Database - One stop shopping
GaussView - Molecular editor & visualization
IQmol - Molecular editor & visualization
MolView - 2D & 3D molecular visualization
WebMO - Web-based interface to computational chemistry packages
These videos are helpful both inside and outside a flipped classroom environment.
Chris J. Cramer: Computational chemistry - Videos for Chem 4021/8021 Computational Chemistry at the Univ. of Minnesota: a class taken by seniors and 1st-year graduate students
Exploring Chemistry (Foresman & Frisch) - Videos to compliment Exploring Chemistry 3rd Edition
Gaussian Inc - Tutorial videos