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2024-hackathon-internal

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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)
  1. 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

Researcher Affiliation Participation Note
1. Prof. Katerina Christofidou Univ. Sheffield \textcolor{red}{\text{F n H}} k.christofidou@sheffield.ac.uk, Extracting Complex Concentrated Alloy Properties from Scientific Literautre with LLMs (metallurgy, additive manufacturing materials)
1-1. Dr. Joshua Berry Univ. Sheffield \textcolor{red}{\text{H}} jberry1@sheffield.ac.uk
2. Dr. Michail Minotakis Pizzi's group, PSI \textcolor{red}{\text{F n H}} michail.minotakis@psi.ch
3. Dr. Chiho Kim GIT \textcolor{red}{\text{F n H}} ckim437@gatech.edu
3-1. Dr. Harikrishna Sahu GIT \textcolor{red}{\text{H}} hsahu3@gatech.edu
4. Dr. Joonyoung F. Joung Coley's group, MIT \textcolor{red}{\text{F n H}} jjoung@mit.edu, https://coley.mit.edu/
5. Dr. Jose Recatala-Gomez Hippalgaonkar's group, NTU \textcolor{red}{\text{F n H}} 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
5-1. (grad. std) Andre Low Hippalgaonkar's group, NTU \textcolor{red}{\text{H}} (kaiyuana001@e.ntu.edu.sg) doing some great work on materials informatics, Bayesian and evolutional optimization as well as some generative models
6. Dr. Hoje Chun Bombarelli's group, MIT \textcolor{red}{\text{H}} hojechun@mit.edu, https://gomezbombarelli.mit.edu/
  • Domestic graduate students
  • 김병현 교수님 방 (한양대 ERICA): 1명

Accommodation

  • 2024.11.04 - 08 4nights 5days: 6 people (including Joshua)
  • 2024.11.05 - 08 3nights 4days: 3 people

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?

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

  2. 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. 원장님 보고 --> 내부결재 --> 인재개발실 협조전 요청 으로 진행
  2. 심사위원회 필요 --> 점수 채점 (부원장님 필참 아님)
  3. 상품 지원 여부 확인 중
  4. 상장은 직접 출력 가능 (상벌번호를 기입해야 하므로 미리 인재개발실 통해서 발급해놓아야 함)
  5. 해당 상벌번호에 대한 인원 및 기타 정보는 행사 후 제출 가능

List of other contacted people

Researcher Affiliation Contact person Response Note
Not responded yet ------ ------ ------ ------
2. Prof. Claudia Draxl HU-Berlin Dr. Shin Not yet -
3. Dr. Anubhav Jain Lawrence Berkeley National Lab Prof. Soon Not yet -
5. Dr. Janosh Riebesell Radical AI, NYC Prof. Soon Not yet https://github.com/janosh
11. Prof. Bryan R. Goldsmith Univ. Michigan Prof. Jang (through Dr. Kisung Kang?) Not yet https://cheresearch.engin.umich.edu/goldsmith/
Prof. Joshua Bocarsley University of Houston Dr. Yoo Not yet jdbocars@central.uh.edu, area of research concerns strategies managing the ever-growing troves of experimental data that are generated in materials chemistry labs using the open-source datalab platform
Dr. Mehrad Ansari U Toronto Acceleration Consoritum staff scientist for Data /ML Dr. Yoo Not yet mehrad.ansari@utoronto.ca, Inverse design of chemistry materials with agents, LLMs, etc.
Prof. Shijing Sun University of Washington Dr. Yoo Not yet shijing@uw.edu (formerly of TRI)
Prof. Markus Kraft U. Camridge Dr. Yoo Not yet mk306@cam.ac.uk, "twa: A dynamic knowledge graph python package for interoperable chemistry" https://cambridge-cares.github.io/TheWorldAvatar https://como.ceb.cam.ac.uk/people/jb2197/ [Jiaru Bai, early career/late Postdoc on digital twins and knowledge representations]
------ ------ ------ ------ ------
Leonard Wei Tat Ng ------ ------ ------ (polymer photovoltaic high throughput with digital twin) leonard.ngwt@ntu.edu.sg
Tong Xie (grad. std) UNSW ------ ------ solar materials and ML tong.xie@unsw.edu.au
Dr. Matthew Evans UCLouvain ------ ------ matt@ml-evs.science, (https://ml-evs.science) Datalab project https://github.com/the-grey-group/datalab
------ ------ ------ ------ ------
Prof. Axel Groß Ulm Univ. - - -
Dr. Mira Todorova & Prof. Karsten Reuter MPIE & FHI - - -
Prof. Chris Wolverton Northwestern Univ. - - -
------ ------ ------ ------ -
Negative ------ ------ ------ -
6. Prof. Rohit Batra IIT Madras Prof. Jang \textcolor{red}{\text{No}} https://rbcdsai.iitm.ac.in/people/rohit-batra/
7. Prof. Rafael Gómez-Bombarelli MIT Prof. Jang \textcolor{red}{\text{No}} https://gomezbombarelli.mit.edu/
9. Prof. Runhai Ouyang Shanghai Univ. Dr. Shin \textcolor{red}{\text{No}} https://scholar.google.co.kr/citations?user=Yv6nUJ0AAAAJ&hl=ko&oi=sra
1. Dr. Giovanni Pizzi PSI Prof. Soon \textcolor{red}{\text{No}} -
8. Prof. Connor W. Coley MIT Prof. Schrier \textcolor{red}{\text{No}} https://coley.mit.edu/
10. Prof. Kedar Hippalgaonkar NTU Prof. Schrier \textcolor{red}{\text{No}} https://scholar.google.com/citations?user=xaUJEWAAAAAJ&hl=en