### **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/> The PC₃ program started its work in 2020. We had several meeting with computational chemistry faculty researchers from across Canada. With help from the group, we made important decisions about the format and structure of the program. We envision that this program will have significant impacts on teaching and research activities among the computational chemistry community in Canada. <br/> #### **Current Vision**: - Online modular computational chemistry courses (Intro and Advanced) - Targeted toward graduate students in chemistry (master’s and PhD 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. Gino DiLabio][8],&nbsp; [Dr. Richard Bowles][1],&nbsp; [Dr. Joshua Hollett][2],&nbsp; [Dr. Erin Johnson][3],&nbsp; [Dr. Alberto Otero-de-la-Roza][4],&nbsp; [Dr. Georg Schreckenbach][5],&nbsp; [Dr. Robert Szilagyi][6],&nbsp; [Dr. Tom Woo][7],&nbsp; [Dr. Stacey Wetmore][9],&nbsp; [Dr. Katie Wilson][10],&nbsp; [Dr. Alex Brown][11],&nbsp; [Dr. Christopher Rowley][12],&nbsp; [Dr. Farnaz Heidar-Zadeh][13],&nbsp; [Dr. James Gauld][14],&nbsp; [Dr. Paul Johnson][15] ###### **PC₃ Coordinator:** [Dr. Alireza Sadeghifar][16] <br/> #### **PC₃ Course Developers:** ##### [**Intro Module: Introduction to Computational Chemistry**][17]**:** ###### &nbsp; &nbsp; [Dr. Richard Bowles][18] , [Dr. Joshua Hollett][19] , [Dr. Robert Szilagyi][20] <br/> ##### [**Advanced Modules**][21]: 1. [**Advanced Module 1 (AM1): Reactions: Thermochemistry, Mechanisms, and Kinetics**][22] &nbsp; &nbsp; (complete and offered in 2023) ###### [Dr. Gino DiLabio][23], [Dr. Alberto Otero-de-la-Roza][24] 2. [**Advanced Module 2 (AM2): Python Scripting and Machine Learning in Computational Chemistry**][25] &nbsp; &nbsp; (coming soon ..) ###### [Dr. Farnaz Heidar-Zadeh][26] , [Dr. Paul Johnson][27] , [Dr. Christopher Rowley][28] 3. [**Advanced Module 3 (AM3): Density Functional Theory, Solid-State Modelling, and Relativistic Effects**][29] &nbsp; &nbsp; (complete and offered in 2023) ###### [Dr. Erin Johnson][30] , [Dr. Georg Schreckenbach][31] , [Dr. Tom Woo][32] 4. [**Advanced Module 4 (AM4): Biomolecular Modelling: QM/MM and MD**][33] &nbsp; &nbsp; (coming soon ..) ###### [Dr. Stacey Wetmore][34] , [Dr. James Gauld][35] <br/><br/> The PC₃ courses are offered online via Zoom. All course-related activities and materials are shared with the participants through our Discord servers. For more information about our PC₃ courses and if you wish to join the program, please contact [Dr. Gino DiLabio][36] (or [Dr. Alireza Sadeghifar][37]). You can also find information about the course outlines on the [CATC Education][38] website. <br/><br/> **Important Announcement by Dr. DiLabio (August 2024):** All courses have already been developed by our PC₃ instructors listed above (Introductory Module, AM1 and AM3 were offered in Fall 2023 and also will be offered in 2024. AM2 and AM4 are still under development but will be offered soon). Those faculty researchers whose students wish to join the course can contact [Dr. Gino DiLabio][39] (or [Dr. Alireza Sadeghifar][40]). In order to accommodate these students, each institutoion will need to have an instructor-on-record who takes care of getting the course set-up at their university and a few other details. The role is not too onerous (the protocol and syllabi will be sent upon request). Please let us know if you are interested in serving in this capacity. <br/><br/> #### **Group News:** ##### **July 2022:** Our [Poster][41] was presented at [CSTCC 2022][42] in June 2022 as well as at [WATOC 2020][43] 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. ##### **January 2024:** We successfully piloted the program in fall 2023. Instructors and students from Udal, UOttawa, UofM, UWinnipeg, UofA, UBCO,and USask participated in our first offerings last semester. We plan on offering the program on an on-going basis starting September 2024. ##### **June 2024:** Our [work][44] was presented at CSC 2024 in Winnipeg. ##### **July 2024:** Our annual PC₃ group meeting was held during CSTCC 2024 in Halifax and led by Dr. DiLabio. The program received strong support from the theoretical and computational chemistry community in Canada and it was decided to offer our courses again in 2024. ##### **August 2024:** The participants of the pan-Canadian Applied Computational Chemistry (PC₃) program for graduate studies are pleased to let you know that we are offering an introductory module in Fall 2024 and two advanced modules in Winter 2025. ##### **September 2024:** In our second PC₃ Introductory module this fall, we're welcoming students from UofA, UofL, MUN, UofM, UWinnipeg, UBC (both campuses), USask, UOttawa, UWindsor, UDal, and UVic. Another exciting year for the computational chemistry community in Canada! <br/><br/> #### **Institutions:** ###### University of Saskatchewan, University of Winnipeg, Dalhousie University, University of Oviedo, University of Manitoba, University of Lethbridge, University of Ottawa, Memorial University of New Foundland, University of British Columbia, University of Alberta, University of Windsor, Queen's University, Laval University, University of Victoria, Carleton University. @[OSF](8g49m) [1]: https://artsandscience.usask.ca/profile/RBowles [2]: https://www.uwinnipeg.ca/chemistry/our-department/joshua-hollett.html [3]: https://www.dal.ca/faculty/science/chemistry/faculty-staff/our-faculty/Erin-Johnson.html [4]: http://portalinvestigacion.uniovi.es/investigadores/219087/detalle [5]: https://sci.umanitoba.ca/chemistry/profiles/georgschreckenbach [6]: https://chemistry.ok.ubc.ca/about/contact/robert-karoly-szilagyi/ [7]: https://science.uottawa.ca/chemistry/people/woo-tom [8]: http://chemistry.ok.ubc.ca/about/contact/gino-dilabio/ [9]: http://people.uleth.ca/~stacey.wetmore/ [10]: http://sites.google.com/view/wilson-research-group/home [11]: http://alexbrown.chem.ualberta.ca/ [12]: https://carleton.ca/chemistry/people/christopher-rowley/ [13]: https://www.chem.queensu.ca/heidar-zadeh-farnaz [14]: https://www.uwindsor.ca/science/chemistry/464/faculty-james-gauld [15]: https://www.chm.ulaval.ca/departement-et-professeurs/professeurs-et-personnel/professeurs/fiche/paul-a-johnson-462 [16]: http://chemistry.ok.ubc.ca/about/contact/alireza-sadeghifar/ [17]: https://osf.io/uv6mx/ [18]: https://artsandscience.usask.ca/profile/RBowles [19]: https://www.uwinnipeg.ca/chemistry/our-department/joshua-hollett.html [20]: https://chemistry.ok.ubc.ca/about/contact/robert-karoly-szilagyi/ [21]: https://osf.io/6yjvn/ [22]: https://osf.io/bghyt/ [23]: 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 [24]: https://qfa.uniovi.es/personal/pdi/-/asset_publisher/R7nf/content/otero-de-la-roza-alberto;jsessionid=036D36AEA5C335E5940DA871B5D137D5?redirect=/personal/pdi [25]: https://osf.io/fzcsb/ [26]: https://www.chem.queensu.ca/heidar-zadeh-farnaz [27]: https://www.chm.ulaval.ca/departement-et-professeurs/professeurs-et-personnel/professeurs/fiche/paul-a-johnson-462 [28]: https://carleton.ca/chemistry/people/christopher-rowley/ [29]: https://osf.io/smr43/ [30]: https://www.dal.ca/faculty/science/chemistry/faculty-staff/our-faculty/Erin-Johnson.html [31]: https://sci.umanitoba.ca/chemistry/profiles/georgschreckenbach [32]: https://science.uottawa.ca/chemistry/people/woo-tom [33]: https://osf.io/dm8ju/ [34]: https://uniweb.uleth.ca/members/14 [35]: https://www.uwindsor.ca/science/chemistry/464/faculty-james-gauld [36]: http://chemistry.ok.ubc.ca/about/contact/gino-dilabio/ [37]: http://chemistry.ok.ubc.ca/about/contact/alireza-sadeghifar/ [38]: http://www.catc.ca/education [39]: http://chemistry.ok.ubc.ca/about/contact/gino-dilabio/ [40]: http://chemistry.ok.ubc.ca/about/contact/alireza-sadeghifar/ [41]: https://osf.io/uchyj [42]: http://catc.ca/cstcc2022/abstracts/submitted_abstracts/ewqk [43]: https://www.xcdsystem.com/cic/program/s07pZsO/index.cfm?pgid=1913&sid=25233&abid=92912 [44]: http://www.xcdsystem.com/cic/program/Y6mO10p/index.cfm?pgid=2959&sid=28091&abid=107664 [45]: http://osf.io/8g49m