### **The PC₃ Program:** Canada has a strong and close-knit theoretical and computational chemistry community in its university system. The community is small - on average, one faculty member per department per university - in comparison to other sub-disciplines in chemistry, and this makes it difficult for individual chemistry departments to offer robust computational training programs at the graduate level. The PC₃ project is a collaborative approach to address this important gap in computational chemistry training at the graduate level. The project gathers faculty from institutions across Canada with the aim of developing and delivering graduate-level applied computational chemistry courses. In addition to creating a standard, high-quality, and sustainable training program in the field, students are expected to benefit from an experience that goes beyond the single instructor/single institution model and exposure to a wide the latest research. We expect the PC₃ model to be extendable to students outside of Canada, thereby addressing the UN Sustainability Goals 4 and 10, *Quality Education* and *Reduced Inequalities*. <br/> #### **Current Vision**: - Online modular computational chemistry courses (Intro and Advanced) - Targeted toward graduate students in chemistry (master’s level) - Focus on the applied aspects of computational chemistry <br/> #### **Main goals:** - Develop a robust and sustainable computational chemistry training program with open access material. - Expose students to Canadian researchers in this field. - Enhance students’ exposure to a variety of modelling tools. - Increase collaboration amongst computational chemistry scientists. - Broaden the student experiences beyond the single-instructor/single-institution model. - Address the UN sustainability goals 4 and 10. <br/> #### **PC₃ Faculty:** ##### [Dr. Richard Bowles][2],&nbsp; [Dr. Alex Brown][3],&nbsp; [Dr. James Gauld][4],&nbsp; [Dr. Farnaz Heidar-Zadeh][5],&nbsp; [Dr. Joshua Hollett][6],&nbsp; [Dr. Erin Johnson][7],&nbsp; [Dr. Paul Johnson][8],&nbsp; [Dr. Alberto Otero-de-la-Roza][9],&nbsp; [Dr. Christopher Rowley][10],&nbsp; [Dr. Georg Schreckenbach][11] , [Dr. Robert Szilagyi][12],&nbsp; [Dr. Stacey Wetmore][13],&nbsp; [Dr. Tom Woo][14] ###### **PC₃ Coordinator:** [Dr. Alireza Sadeghifar][15] <br/> #### **PC₃ Course Developers:** ##### [**Intro Module: Introduction to Computational Chemistry**][16]**:** ###### &nbsp; &nbsp; [Dr. Richard Bowles][17] , [Dr. Joshua Hollett][18] , [Dr. Robert Szilagyi][19] <br/> ##### [**Advanced Modules**][20]: 1. [**Advanced Module 1 (AM1): Reactions: Thermochemistry, Mechanisms, and Kinetics**][21] ###### [Dr. Gino DiLabio][22], [Dr. Alberto Otero-de-la-Roza][23] 2. [**Advanced Module 2 (AM2): Python Scripting and Machine Learning in Computational Chemistry**][24] ###### [Dr. Farnaz Heidar-Zadeh][25] , [Dr. Paul Johnson][26] , [Dr. Christopher Rowley][27] 3. [**Advanced Module 3 (AM3): Density Functional Theory, Solid-State Modelling, and Relativistic Effects**][28] ###### [Dr. Erin Johnson][29] , [Dr. Georg Schreckenbach][30] , [Dr. Tom Woo][31] 4. [**Advanced Module 4 (AM4): Biomolecular Modelling: QM/MM and MD**][32] ###### [Dr. James Gauld][33] , [Dr. Stacey Wetmore][34] <br/><br/> ##### **Group News:** ###### **July 2022:** Our [Poster][35] was presented in [CSTCC 2022][36] in June 2022 as well as in [WATOC 2020][37] in summer 2022.<br/> ###### **May 2023:** The Intro module and two Advanced modules (AM1 and AM3) of the PC₃ Program will be offered in September 2023. ###### **August 2023:** We are offering the Intro module and two Advanced modules (AM1 and AM3) in September. <br/><br/> #### **Institutions:** ###### University of Saskatchewan, University of Alberta, University of British Columbia, University of Windsor, University of Winnipeg, Queen's University, Dalhousie University, Laval University, University of Oviedo, Carleton University, University of Manitoba, University of British Columbia, University of Lethbridge, University of Ottawa, University of British Columbia. ![enter image description here][15] [1]: https://osf.io/2u5s4/files/osfstorage/646bbf75a97a72281d0b779d [2]: https://artsandscience.usask.ca/profile/RBowles [3]: http://alexbrown.chem.ualberta.ca/ [4]: https://www.uwindsor.ca/science/chemistry/464/faculty-james-gauld [5]: https://www.chem.queensu.ca/heidar-zadeh-farnaz [6]: https://www.uwinnipeg.ca/chemistry/our-department/joshua-hollett.html [7]: https://www.dal.ca/faculty/science/chemistry/faculty-staff/our-faculty/Erin-Johnson.html [8]: https://www.chm.ulaval.ca/departement-et-professeurs/professeurs-et-personnel/professeurs/fiche/paul-a-johnson-462 [9]: https://qfa.uniovi.es/personal/pdi/-/asset_publisher/R7nf/content/otero-de-la-roza-alberto;jsessionid=036D36AEA5C335E5940DA871B5D137D5?redirect=/personal/pdi [10]: https://carleton.ca/chemistry/people/christopher-rowley/ [11]: https://sci.umanitoba.ca/chemistry/profiles/georgschreckenbach [12]: https://chemistry.ok.ubc.ca/about/contact/robert-karoly-szilagyi/ [13]: https://uniweb.uleth.ca/members/14 [14]: https://science.uottawa.ca/chemistry/people/woo-tom [15]: https://mfr.osf.io/export?url=https://osf.io/download/6qxjy/?direct=&mode=render&format=2400x2400.jpeg [16]: https://osf.io/uv6mx/ [17]: https://artsandscience.usask.ca/profile/RBowles [18]: https://www.uwinnipeg.ca/chemistry/our-department/joshua-hollett.html [19]: https://chemistry.ok.ubc.ca/about/contact/robert-karoly-szilagyi/ [20]: https://osf.io/6yjvn/ [21]: https://osf.io/bghyt/ [22]: https://www.google.com/search?q=GIno%20DiLabio&sxsrf=ALiCzsbX2JSnUrytATL3K6CvdIG-B5_5Bw:1669252182891&source=hp&ei=VsR-Y5nrM96H0PEPvtCAqAU&iflsig=AJiK0e8AAAAAY37SZj5gc4QFZvYfI-kZeDvcXMXki_oJ&ved=0ahUKEwiZ7pj70MX7AhXeAzQIHT4oAFUQ4dUDCAo&uact=5&oq=GIno%20DiLabio&gs_lcp=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&sclient=gws-wiz [23]: https://qfa.uniovi.es/personal/pdi/-/asset_publisher/R7nf/content/otero-de-la-roza-alberto;jsessionid=036D36AEA5C335E5940DA871B5D137D5?redirect=/personal/pdi [24]: https://osf.io/fzcsb/ [25]: https://www.chem.queensu.ca/heidar-zadeh-farnaz [26]: https://www.chm.ulaval.ca/departement-et-professeurs/professeurs-et-personnel/professeurs/fiche/paul-a-johnson-462 [27]: https://carleton.ca/chemistry/people/christopher-rowley/ [28]: https://osf.io/smr43/ [29]: https://www.dal.ca/faculty/science/chemistry/faculty-staff/our-faculty/Erin-Johnson.html [30]: https://sci.umanitoba.ca/chemistry/profiles/georgschreckenbach [31]: https://science.uottawa.ca/chemistry/people/woo-tom [32]: https://osf.io/dm8ju/ [33]: https://www.uwindsor.ca/science/chemistry/464/faculty-james-gauld [34]: https://uniweb.uleth.ca/members/14 [35]: https://osf.io/uchyj [36]: http://catc.ca/cstcc2022/abstracts/submitted_abstracts/ewqk [37]: https://www.xcdsystem.com/cic/program/s07pZsO/index.cfm?pgid=1913&sid=25233&abid=92912 [38]: https://mfr.osf.io/export?url=https://osf.io/download/3pxv2/?direct=&mode=render&format=2400x2400.jpeg