News
2025
Jan 6 - Our paper "A generative artificial intelligence framework based on a molecular diffusion model for the design of metal-organic frameworks for carbon capture" is included in Communications Chemistry's 2024 Editors' Highlights Collection [Link]
Jan 6 - I started working as a research assistant in PME department at UChicago
Jan 3 - Our paper "Wide-ranging predictions of new stable compounds powered by recommendation engines" is now available on Science Advances [Link]
2024
Dec 3-6 - I visited UC Berkeley to discuss about my ongoing research project
Nov 26 - Our collaborative paper "Reflections from the 2024 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry" is now available on Arxiv! [Link]
Nov 25-27 - I attended Chem AI satellite events [Link]
Nov 24 - I finished my first marathon in 3:34:53 during the Philadelphia Marathon weekend [Certificate] [Link]
Oct 30 - The Climate Frontiers: Energy and Climate event was hosted at UChicago [Link]
Oct 29-31 - I attended 2024 ALCF Hands-on HPC Workshop at Argonne [Link]
Oct 18 - The first session of I-Corps program at the Polsky Center started
Oct 11 - I am officially a mentor in the Global Mentor Network program at UChicago I-House [Linker]
Oct 10-11 - I attended the AI for Multidisciplinary Exploration and Discovery (AIMED) Workshop on Heterogeneous Catalysis workshop [Link]
Oct 1 - Nov 12 - I attended the ALCF Intro to AI-driven Science on Supercomputers workshop [Link]
Sept 29 - I finished my first half marathon in 1:43:25 during 2024 HOKA Life Time Chicago Half Marathon [Link]
Sept 27 - I presented a poster on behalf of the Gagliardi group during PME orientation week
Sept 24-25 - I presented a poster at CD4DC all hands meeting [Link]
Sept 19 - Our team, CatalyzeQ, has been selected to participate in the Polsky I-Corps program [Link]
Sept 13 - I attended the 1st Midwest MOF conference [Link]
Sept 7 - I finished in the 28th place (39:29) in the Run Mag Mile Chicago 10k run [Link] [Certificate]
Sept 2 - I started as NSF-NRT AIMEMS Trainee [Link]
Aug 6-7 - I attended the NCHC end-to-end LLM bootcamp hosted by National Center for High-performance Computing [Link]
July 31 - I was accepted as NSF-NRT AIMEMS trainee [Link]
July 23-24 - I attended "AI For Science and Nobel Turing Challenge Initiative Conference" [Link]
July 17-18 - I attended the Artificial Intelligence for Materials Science (AIMS) workshop at NIST [Link]
July 15-17 - I attended the "Frontiers on Computational Reaction Prediction" workshop hosted by CECAM [Link]
July 9-13 - I attended "Summer Virtual Workshop on Machine Learning Performance and Scalability" hosted by NCA Delta Project Office [Link]
July 8-26 - I attended the SciFM Summer School organized by University of Michigan and Argonne [Link]
July 3 - Our team (Agent 47 Materials) won the 1st place in AI4Science hackathon [Link] [Slides]
June 28 - I attended "Crash Course in Supercomputing" hosted by LBNL [Link]
June 26 - Our team advanced to the final round of AI4Science hackathon [Code] [Website]
June 26 - I attended "Expanding AI and next generation simulation tools to accelerate scientific discovery" hoted by C&EN and Microsoft [Link]
June 25-26 - I attended "Future of Materials Discovery Workshop" hosted by University College London [Link]
June 14 - I completed my first paper review for Transactions on Knowledge Discovery from Data journal
June 13 - I participated in the AI4S Cup - OpenLAM Challenge - LAM Crystal Philately [Link]
June 11 - I joined Catalyst Design for Decarbonation Center (CD4DC) funded by DOE [Link]
June 10 - Our work on appeared on DOE NETL Carbon Capture News Letter June 2024 [Link]
June 10-14 - I (remotely) attended the AI≡Science: Strengthening the Bond Between the Sciences and Artificial Intelligence Workshop hosted by the Simons Institute [Link]
May 30 - I scored 98 in TOPIK II 2024 [Link]
May 27 - I wrote a blog post titled "Hackathon 101" [Link]
May 24 - I wrote a blog post titled "How we won reincarnate prize for LLM hackathon for applications in materials and chemistry 2024" [Link]
May 13-17 - I attended the "Data Sciences for Mesoscale and Macroscale Materials Models" workshop organized by Institute of Mathematics and Statistical Innovation (IMSI) at University of Chicago [Link]
May 10 - Our team won the "reincarnate prize" of LLM hackathon [Medium] [Code]
May 9 - We successfully completed the AI+Science hackathon [Code] [Slides] [Certificate]
May 8-9 - I participated in Large Language Model (LLM) hackathon for applications in chemistry and materials science [Link]
May 6-9 - I participated in AI+Science hackathon organized by the Data Science Institute (DSI) at University of Chicago [Link]
Apr 30 - Our working paper "Deep Learning for Molecular Orbitals" is now available on ChemRxiv [Link]
Apr 22 - May 6 - I participated in MLMR's annual materials informatics competition 2024 [Link]
April 22-26 - I attended the "Learning Collective Variables and Coarse Grained Models" workshop organized by Institute of Mathematics and Statistical Innovation (IMSI) at University of Chicago [Link]
April 8-12 - I attended the "Machine Learning Force Fields" workshop organized by Institute of Mathematics and Statistical Innovation (IMSI) at University of Chicago [Link]
Mar 25-29 - I attended the "Machine Learning in Electronic-Structure Theory" workshop organized by Institute of Mathematics and Statistical Innovation (IMSI) at University of Chicago [Link]
Mar 29 - Our team won the 6th in the Bayesian Optimization Hackathon! We found that Thompson sampling is 2x more efficient in finding high-performing metal-organic framework (MOF) candidates compared to random sampling. [Code] [Link]
Mar 27-29 - I participated in the Bayesian Optimization Hackathon for Chemistry and Materials organized by Accelerated Consortium at University of Toronto. [Link] [Github] [Youtube] [Slides]
Mar 11-15 - I attended the "Materials Informatics: Tutorials and Hands-On" workshop organized by Institute of Mathematics and Statistical Innovation (IMSI) at University of Chicago [Link]
Mar 1 - Check out my Classical Molecular and Materials Modeling term project presentation [Youtube]
Feb 14 - I presented a poster at PME admitted student visit weekend
Feb 14 - Our work on isoreticular design of pcu MOFs for CO2 capture is now available in Nature Communications Chemistry [Link] [Behind the paper]
Feb 9 - Our Argonne team won Editors’ Choice Award for Best Use of High-Performance Data Analysis & Artificial Intelligence by HPCwire [Link]
Feb 9 - I made a poster for PME Lunar New Year celebration [Link]
Feb 7 - Our work on MOF+AI has been featured in Argonne News [Link]
Jan 5 - I joined the Gagliardi group at University of Chicago [Link]
2023
Oct 17 - I delivered a talk at the CD4DC All Hands Meeting at University of Chicago [Link] [Photo]
Sept 26 - I started my PhD at the Pritzker School of Molecular Engineering (PME) at University of Chicago
July 27 - I delivered a talk at the group meeting at LLNL
July 27 - I delivered a talk at the 2023 Artificial Intelligence for Materials Science (AIMS) meeting [Link][Presentation]
July 18 - I made a Youtube video about Yosemite [Link]
July 13 - I delivered a talk at the Computational Chemistry and Materials Science Summer Institute student meeting
July 4 - I made a Youtube video about San Francisco [Link]
June 29 - Our paper "End-to-end AI framework for interpretable prediction of molecular and crystal properties" is available on Machine Learning: Science and Technology [Link]
June 28 - The code for GHP-MOFassemble is available on Github [Link]
June 14 - Our paper "GHP-MOFassemble: Diffusion modeling, high throughput screening, and molecular dynamics for rational discovery of novel metal-organic frameworks for carbon capture at scale" is available on Arxiv [Link]
June 5 - I started my internship as a Computational Chemistry and Materials Science (CCMS) Summer Institute Fellow at Lawrence Livermore National Laboratory
May 31 - I completed my Predoctoral Appointee position at Argonne National Laboratory
May 22 - The Science Olympiad varsity team I coached at Marie Murphy School finished in the 6th place in the nationals. Congrats!
April 25 - The Science Olympiad varsity team I coached at Marie Murphy School advanced to the nationals. Congrats!
April 12 - I delivered a talk at AIChE Midwest Regional Conference
April 5 - Our code for diffusion model-based metal-organic framework (MOF) generation algorithm for carbon capture is now available on GitLab [Link]
April 3 - I accepted PhD offer from UChicago Pritzker School of Molecular Engineering
April 3 - I started as a Predoctoral Appointee at Argonne National Laboratory
April 2 - I posted my first Youtube video on half marathon training preparation [Video]
Mar 12 - The Science Olympiad varsity team I coached at Marie Murphy School advanced to the states. Congrats!
Mar 2-4 - I visited Carnegie Mellon University Materials Science department
Feb 23-25 - I visited UChicago Pritzker School of Molecular Engineering [Photo]
Feb 23 - I submitted an abstract to the AlChE Midwest Regional Conference [Abstract]
Feb 21-23 - I presented a poster at the MaRDA Annual Meeting [Poster]
Feb 7 - I wrote a blog post about my experience participating in iQuHack 2023 [Blog]
Jan 27-29 - I participated in iQuHack quantum computing hackathon hosted by MIT iQuISE [Website] [Github] [Blog]
Jan 22 - I passed JLPT N1 [Certificate]
Jan 19-21 - I participated in the Solid-state Materials Chemistry and Data Science Hackathon (SSMCDST) hosted by Lehigh University [Final Presentation][Website]
Jan 17 - I wrote a blog post on my experience as a Master's student in Materials Engineering at Northwestern [Blog]
Jan 2 - I wrote a blog post on my recent work on i-MAX phases [Blog]
2022
Dec 27 - Subscribe to my blog post to learn more about computational materials science [Blog]
Dec 22 - Our paper End-to-end AI Framework for Interpretable Prediction of Molecular and Crystal Properties is now available on Arxiv [Paper]
Dec 10 - I graduated from Northwestern University with a Master's degree in Materials Science and Engineering
Dec 4 - I took the Japanese Language Proficiency Test (JLPT) N1
Nov 27-Dec 1 - I participated in the Battery Informatics & ML Competition hosted by NIST and TRI
Nov 24 - First day of coaching practice for Science Olympiad at Marie Murphy School
Oct 8 - I finished in the 99th place in Abott Chicago 5k [Certificate] [Result]
Oct 6 - First day of mentoring students at Nichols Middle School [Morning Mentor]
Sept 28 - I contributed to XSEDE and NERSC proposals for awarded high-performance computing resources
Sept 28 - I presented a rapid fire research talk on QMT Journal Club meeting [Slide]
Aug 31 - I delivered a group presentation in the Wolverton group meeting [Slide]
Aug 11 - I developed code for calculating site-specific chemical similarity of materials [Github link]
Aug 8-12 - I attended the Machine Learning for Materials Research (MLMR) Seminar 2022 hosted by UMD [Group Picture]
Aug 4 - I wrote two extractor scripts for materials data visualization on clowder [Slide]
Aug 1-5 - I attended 2022 MaRDA Summer Hackathon at GaTech [Github] [Photo]
July 18 - I finished in the 38th place in Under Armour Chicago 10K [Result]
July 14 -I presented a poster at the Artificial Intelligence for Materials Science (AIMS) Meeting [Poster] [Presentation]
July 13 - I presented a poster at the C3S Symposium [Poster]
June 13 - I attended the Argonne Quantum Computing Tutorial
June 13 - I started my summer internship as a Research Aide Technical at Argonne National Lab
May 26-27 - I attended the Computational Representation of Materials Workshop hosted by TRI
May 15 - Our team won the 4th place in the Stanford Cleantech Challenge [Slides]
Feb 22 - I presented a research poster at the Materials Data Alliance (MaRDA) Meeting [Page]
Jan 28 - Our team won the 1st place in the ALCF AI Hackathon [Page]
