Jiale Shi
Postdoctoral Associate
Boston University Graduate School of Arts and Sciences
Chemistry



Publications listed below are automatically derived from MEDLINE/PubMed and other sources, which might result in incorrect or missing publications. Faculty can login to make corrections and additions.

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  1. Van Herck J, Gil MV, Jablonka KM, Abrudan A, Anker AS, Asgari M, Blaiszik B, Buffo A, Choudhury L, Corminboeuf C, Daglar H, Elahi AM, Foster IT, Garcia S, Garvin M, Godin G, Good LL, Gu J, Xiao Hu N, Jin X, Junkers T, Keskin S, Knowles TPJ, Laplaza R, Lessona M, Majumdar S, Mashhadimoslem H, McIntosh RD, Moosavi SM, Mouriño B, Nerli F, Pevida C, Poudineh N, Rajabi-Kochi M, Saar KL, Hooriabad Saboor F, Sagharichiha M, Schmidt KJ, Shi J, Simone E, Svatunek D, Taddei M, Tetko I, Tolnai D, Vahdatifar S, Whitmer J, Wieland DCF, Willumeit-Römer R, Züttel A, Smit B. Assessment of fine-tuned large language models for real-world chemistry and material science applications. Chem Sci. 2025 Jan 02; 16(2):670-684. PMID: 39664810; PMCID: PMC11629507; DOI: 10.1039/d4sc04401k;
     
  2. Rebello NJ, Arora A, Mochigase H, Lin TS, Shi J, Audus DJ, Muckley ES, Osmani A, Olsen BD. The Block Copolymer Phase Behavior Database. J Chem Inf Model. 2024 Aug 26; 64(16):6464-6476. PMID: 39126359; DOI: 10.1021/acs.jcim.4c00242;
     
  3. Ai Q, Meng F, Shi J, Pelkie B, Coley CW. Extracting structured data from organic synthesis procedures using a fine-tuned large language model. Digit Discov. 2024 Sep 11; 3(9):1822-1831. PMID: 39157760; PMCID: PMC11322921; DOI: 10.1039/d4dd00091a;
     
  4. Shi J, Walsh D, Zou W, Rebello NJ, Deagen ME, Fransen KA, Gao X, Olsen BD, Audus DJ. Calculating Pairwise Similarity of Polymer Ensembles via Earth Mover's Distance. ACS Polym Au. 2024 Feb 14; 4(1):66-76. PMID: 38371731; PMCID: PMC10870752; DOI: 10.1021/acspolymersau.3c00029;
     
  5. Jablonka KM, Ai Q, Al-Feghali A, Badhwar S, Bocarsly JD, Bran AM, Bringuier S, Brinson LC, Choudhary K, Circi D, Cox S, de Jong WA, Evans ML, Gastellu N, Genzling J, Gil MV, Gupta AK, Hong Z, Imran A, Kruschwitz S, Labarre A, Lála J, Liu T, Ma S, Majumdar S, Merz GW, Moitessier N, Moubarak E, Mouriño B, Pelkie B, Pieler M, Ramos MC, Rankovic B, Rodriques SG, Sanders JN, Schwaller P, Schwarting M, Shi J, Smit B, Smith BE, Van Herck J, Völker C, Ward L, Warren S, Weiser B, Zhang S, Zhang X, Zia GA, Scourtas A, Schmidt KJ, Foster I, White AD, Blaiszik B. 14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon. Digit Discov. 2023 Oct 09; 2(5):1233-1250. PMID: 38013906; PMCID: PMC10561547; DOI: 10.1039/d3dd00113j;
     
  6. Shi J, Albreiki F, Yamil J Colón, Srivastava S, Whitmer JK. Transfer Learning Facilitates the Prediction of Polymer-Surface Adhesion Strength. J Chem Theory Comput. 2023 Jul 25; 19(14):4631-4640. PMID: 37068204; DOI: 10.1021/acs.jctc.2c01314;
     
  7. Shi J, Quevillon MJ, Amorim Valença PH, Whitmer JK. Predicting Adhesive Free Energies of Polymer-Surface Interactions with Machine Learning. ACS Appl Mater Interfaces. 2022 Aug 17; 14(32):37161-37169. PMID: 35917495; DOI: 10.1021/acsami.2c08891;
     
  8. Shi J, Huang S, Gygi F, Whitmer JK. Free-Energy Landscape and Isomerization Rates of Au4 Clusters at Finite Temperatures. J Phys Chem A. 2022 Jun 02; 126(21):3392-3400. PMID: 35584205; DOI: 10.1021/acs.jpca.2c02732;
     
  9. Shi J, Sidky H, Whitmer JK. Novel elastic response in twist-bend nematic models. Soft Matter. 2019 Oct 23; 15(41):8219-8226. PMID: 31495852; DOI: 10.1039/c9sm01395d;
     

This graph shows the total number of publications by year, by first, middle/unknown, or last author.

Bar chart showing 9 publications over 4 distinct years, with a maximum of 4 publications in 2024

YearPublications
20191
20222
20232
20244

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