GitLab

Event format

1. Title: 2024 KRICT ChemDX Hackathon: Colaboratory (maybe discussed on kakao)
2. Date: 2024.11.06-08
3. Venue

• Venue for education and development (11.06-07): need to find a place (e.g., 국립한밭대 신기현 교수)
• Venue for evaluation and award ceremony (11.08): KRICT Didimdol plaza (4F)

4. Support

• International participants: flights
• International participants: need to find accommodation (external places)
• Probably not possible KRICT Dorm. (KRICT Dorm: 8 guest rooms (1 bed up to 2 ppl) + 1 family room (2 rooms / 2 beds, up to 4 ppl, if we could book all rooms 20 ppl can be accommodated)

Speaker, invited group

1. Need to clarify whether we tie up speakers & groups between R&D Forum and Hackathon

• The Hackathon should be in the first priority and it would be better if we could tie them up with R&D Forum.

2. list of potential invited person and group

• Seiji Takeda (IBM Research - Tokyo SEIJITKD@jp.ibm.com) : or someone from the team he runs https://github.com/IBM/materials
  • Application: battery material: Young-Hye Na: yna@us.ibm.com)
  • Application: Semiconductor & Materials Sustainability (contact: Ben Wunsch)) bhwunsch@us.ibm.com
• Jiaru Bai (Camridge/Singapore?, Markus Kraft), "twa: A dynamic knowledge graph python package for interoperable chemistry" https://cambridge-cares.github.io/TheWorldAvatar https://como.ceb.cam.ac.uk/people/jb2197/ [early career/late Postdoc on digital twins and knowledge representations ]
• Tong Xie (UNSW), solar materials and ML tong.xie@unsw.edu.au
• Leonard Wei Tat Ng (polymer photovoltaic high throughput with digital twin) leonard.ngwt@ntu.edu.sg
• Shijing Sun (shijing@uw.edu) @ University of Washington (formerly of TRI)
• Matthew Evans(matt@ml-evs.science https://ml-evs.science) Datalab project https://github.com/the-grey-group/datalab alternate: Joshua Bocarsley, University of Houston
• Katerina Christofidou (U, Sheffield) "Extracting Complex Concentrated Alloy Properties from Scientific Literautre with LLMs" (metallurgy, additive manufacturing materials) k.christofidou@sheffield.ac.uk
• Mehrad Ansari (U Toronto Acceleration Consoritum staff scientist for Data /ML), "Inverse design of chemistry materials with agents, LLMs, etc." mehrad.ansari@utoronto.ca

Hackathon Programs

1. Panel discussion

• Prep. led by Prof. Jang
• Goal: Providing insights on successful hackathon regarding DB-related tasks
• Speaks: mainly PIs of groups of participants
• Prep. questions
• 45min: panel discussion // 15min:Q&A
• possibility of publishing proceeding article with insights from discussion?
• Need video recording?

2. Need poster session in KRICT R&D Forum?

3. 2024 KRICT R&D Forum topic: Materials, AI, and Autonomous laboratory cf.)

• 2023 KRICT R&D Forum: Int. # 5, Dom. # 2, Internal. # 2
• 2024 KRICT R&D Forum: Int. # 5 (min 4 - 6), Dom. # 2 (e.g., Prof. Soon/ 한승우 교수/ 서동화 교수/ 박지찬 박사), Internal. # 2 (노주환/임진오 박사 + 진호원 박사)

Main topics (let roughly 10 teams choose one of them)

1. develop good ML models using ChemDX
2. develop or enhance (DB-related) functions in ChemDX (e.g., API, handling metadata/duplicates)
3. develop useful visualizer for ChemDX data
4. develop concepts to unify/simplify ChemDX DB

• Action: need to check availability of ChemDX DB

Prizes (President's award)

1. Need an official process to select the recipient (such as forming a committee for reviewing and checking vice president's participation)
2. No prize support from the institute due to shortage of general expenses
3. It is necessary to check whether there is enough time to prepare for the award ceremony, such as printing the certificates
4. Consider whether it is necessary to report the selected award recipients to the President in advance
5. 원장님 보고 --> 내부결재 --> 인재개발실 협조전 요청 으로 진행
6. Optional: Director's award