Suhyun YooEvent format
- Title: 2024 KRICT ChemDX Hackathon: Colaboratory (maybe discussed on kakao)
- Date: 2024.11.06-08
- 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)
- 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
- 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.
- list of potential invited person and group
| Researcher | Affiliation | Contact person | Response | Note |
|---|---|---|---|---|
| 1. Dr. Giovanni Pizzi | PSI | Prof. Soon | Not yet | - |
| 2. Prof. Claudia Draxl | HU-Berlin | Dr. Shin | Not yet | - |
| 3. Dr. Anubhav Jain | Lawrence Berkeley National Lab | Prof. Soon | Not yet | - |
| 4. Dr. Chiho Kim | GIT | Prof. Kim | **Positive & can come with 1 postdoc (+ 1 std, if possible) | - |
| 5. Dr. Janosh Riebesell | Radical AI, NYC | Prof. Soon | Not yet | https://github.com/janosh |
| 6. Prof. Rohit Batra | IIT Madras | Prof. Jang | Not join | https://rbcdsai.iitm.ac.in/people/rohit-batra/ |
| 7. Prof. Rafael Gómez-Bombarelli | MIT | Prof. Jang | Not yet | https://gomezbombarelli.mit.edu/ |
| 8. Prof. Connor W. Coley | MIT | Prof. Schrier | Can't join | https://coley.mit.edu/ |
| 8-1. Dr. Joonyoung F. Joung | MIT | Prof. Schrier | Under consideration | - |
| 9. Prof. Runhai Ouyang | Shanghai Univ. | Dr. Shin | Not yet | https://scholar.google.co.kr/citations?user=Yv6nUJ0AAAAJ&hl=ko&oi=sra |
| 10. Prof. Kedar Hippalgaonkar | NTU | Prof. Schrier | He can't join. But his senior postdoc can join in the forum and he can send a team (one std + postdoc(s)) | https://scholar.google.com/citations?user=xaUJEWAAAAAJ&hl=en |
| 10-1. Dr. Jose Recatala-Gomez | NTU | Prof. Schrier | talk in the Forum and join hackathon | (joserecatala.gomez@ntu.edu.sg) working at the intersection of high-throughput experimentation and machine learning. He is also a co-inventor of a rapid synthesis technique |
| 10-2. (grad. std) Andre Low | NTU | Prof. Schrier | join hackathon | (kaiyuana001@e.ntu.edu.sg) doing some great work on materials informatics, Bayesian and evolutional optimization as well as some generative models |
| 11. Prof. Bryan R. Goldsmith | Univ. Michigan | Prof. Jang (through Dr. Kisung Kang?) | Not yet | https://cheresearch.engin.umich.edu/goldsmith/ |
| ------ | ------ | ------ | ------ | ------ |
| Prof. Axel Groß | Ulm Univ. | - | - | - |
| Dr. Mira Todorova & Prof. Karsten Reuter | MPIE & FHI | - | - | - |
| Prof. Chris Wolverton | Northwestern Univ. | - | - | - |
- 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
- 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?
-
Need poster session in KRICT R&D Forum?
-
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)
- develop good ML models using ChemDX
- develop or enhance (DB-related) functions in ChemDX (e.g., API, handling metadata/duplicates)
- develop useful visualizer for ChemDX data
- develop concepts to unify/simplify ChemDX DB
- Action: need to check availability of ChemDX DB
Prizes (President's award)
- 원장님 보고 --> 내부결재 --> 인재개발실 협조전 요청 으로 진행
- 심사위원회 필요 --> 점수 채점 (부원장님 필참 아님)
- 상품 지원 여부 확인 중
- 상장은 직접 출력 가능 (상벌번호를 기입해야 하므로 미리 인재개발실 통해서 발급해놓아야 함)
- 해당 상벌번호에 대한 인원 및 기타 정보는 행사 후 제출 가능