SELFIES and the future of molecular string representations M Krenn, Q Ai, S Barthel, N Carson, A Frei, NC Frey, P Friederich, ... Patterns 3 (10), 2022 | 151 | 2022 |
Exploiting excited-state aromaticity to design highly stable singlet fission materials KJ Fallon, P Budden, E Salvadori, AM Ganose, CN Savory, L Eyre, ... Journal of the American Chemical Society 141 (35), 13867-13876, 2019 | 138 | 2019 |
14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon KM Jablonka, Q Ai, A Al-Feghali, S Badhwar, JD Bocarsly, AM Bran, ... Digital Discovery 2 (5), 1233-1250, 2023 | 123 | 2023 |
Suppressing bias stress degradation in high performance solution processed organic transistors operating in air HF Iqbal, Q Ai, KJ Thorley, H Chen, I McCulloch, C Risko, JE Anthony, ... Nature Communications 12 (1), 2352, 2021 | 80 | 2021 |
Understanding the effect of host structure of nitrogen doped ultrananocrystalline diamond electrode on electrochemical carbon dioxide reduction N Wanninayake, Q Ai, R Zhou, MA Hoque, S Herrell, MI Guzman, C Risko, ... Carbon 157, 408-419, 2020 | 69 | 2020 |
Organic Semiconductors Derived from Dinaphtho-Fused s-Indacenes: How Molecular Structure and Film Morphology Influence Thin-Film Transistor Performance AM Zeidell, L Jennings, CK Frederickson, Q Ai, JJ Dressler, LN Zakharov, ... Chemistry of Materials 31 (17), 6962-6970, 2019 | 49 | 2019 |
OCELOT: An infrastructure for data-driven research to discover and design crystalline organic semiconductors Q Ai, V Bhat, SM Ryno, K Jarolimek, P Sornberger, A Smith, MM Haley, ... The Journal of Chemical Physics 154 (17), 2021 | 42 | 2021 |
Noncovalent close contacts in fluorinated thiophene–phenylene–thiophene conjugated units: understanding the nature and dominance of O··· H versus S··· F and O··· F interactions … T Kharandiuk, EJ Hussien, J Cameron, R Petrina, NJ Findlay, R Naumov, ... Chemistry of Materials 31 (17), 7070-7079, 2019 | 34 | 2019 |
Impact of atomistic substitution on thin-film structure and charge transport in a germanyl-ethynyl functionalized pentacene JC Sorli, Q Ai, DB Granger, K Gu, S Parkin, K Jarolimek, N Telesz, ... Chemistry of Materials 31 (17), 6615-6623, 2019 | 31 | 2019 |
Delimited polyacenes: edge topology as a tool to modulate carbon nanoribbon structure, conjugation, and mobility Q Ai, K Jarolimek, S Mazza, JE Anthony, C Risko Chemistry of Materials 30 (3), 947-957, 2018 | 30 | 2018 |
Even–Odd Alkyl Chain-Length Alternation Regulates Oligothiophene Crystal Structure EK Burnett, Q Ai, BP Cherniawski, SR Parkin, C Risko, AL Briseno Chemistry of Materials 31 (17), 6900-6907, 2019 | 29 | 2019 |
Computationally aided design of a high-performance organic semiconductor: the development of a universal crystal engineering core AJ Petty, Q Ai, JC Sorli, HF Haneef, GE Purdum, A Boehm, DB Granger, ... Chemical Science 10 (45), 10543-10549, 2019 | 26 | 2019 |
Unusual Electronic Structure of the Donor–Acceptor Cocrystal Formed by Dithieno[3,2-a:2′,3′-c]phenazine and 7,7,8,8-Tetracyanoquinodimethane Q Ai, YA Getmanenko, K Jarolimek, R Castañeda, TV Timofeeva, C Risko The Journal of Physical Chemistry Letters 8 (18), 4510-4515, 2017 | 18 | 2017 |
Extracting structured data from organic synthesis procedures using a fine-tuned large language model Q Ai, F Meng, J Shi, B Pelkie, WC Coley Digital Discovery 3 (9), 1822-1831, 2024 | 11 | 2024 |
Multiexciton quintet state populations in a rigid pyrene-bridged parallel tetracene dimer LC Lin, T Smith, Q Ai, BK Rugg, C Risko, JE Anthony, NH Damrauer, ... Chemical Science 14 (41), 11554-11565, 2023 | 11 | 2023 |
Challenges in information-mining the materials literature: A case study and perspective A Smith, V Bhat, Q Ai, C Risko Chemistry of Materials 34 (11), 4821-4827, 2022 | 11 | 2022 |
Nanoribbons or weakly connected acenes? The influence of pyrene insertion on linearly extended ring systems Q Ai, T Smith, ADT Liyanage, SM Mazza, SR Parkin, JE Anthony, C Risko Journal of Materials Chemistry C 9 (47), 16929-16934, 2021 | 10 | 2021 |
Thin‐Film Organic Heteroepitaxy JT Dull, X He, J Viereck, Q Ai, R Ramprasad, MC Otani, J Sorli, JW Brandt, ... Advanced Materials 35 (35), 2302871, 2023 | 8 | 2023 |
RAFT radical copolymerization of beta‐pinene with maleic anhydride and aggregation behaviors of their copolymer in aqueous solution Y Wang, Q Ai, J Lu Journal of Polymer Science Part A: Polymer Chemistry 53 (12), 1422-1429, 2015 | 8 | 2015 |
Olympus, enhanced: benchmarking mixed-parameter and multi-objective optimization in chemistry and materials science R Hickman, P Parakh, A Cheng, Q Ai, J Schrier, M Aldeghi, ... | 7 | 2023 |