Publications

Preprints & submitted manuscripts

More coming soon! 👀

1. G. Tom*, S. P. Schmid, S. G. Baird, Y. Cao, K. Darvish, H. Hao, S. Lo, S. Pablo-García, E. M. Rajaonson, M. Skreta, N. Yoshikawa, S. Corapi, G. D. Akkoc, F. Strieth-Kalhthoff*, M. Seifrid*, A. Aspuru-Guzik*, Self-Driving Laboratories for Chemistry and Materials Science, ChemRxiv, 2024. DOI: 10.26434/chemrxiv-2024-rj946

  • *Corresponding authors

3. M. Seifrid†, F. Strieth-Kalthoff†, M. Haddadnia, T. C. Wu, E. Alca, L. Bodo, S. Arellano-Rubach, N. Yoshikawa, M. Skreta, R. Keunen, A. Aspuru-Guzik, Chemspyd: An Open-Source Python Interface for Chemspeed Robotic Chemistry and Materials Platforms, ChemRxiv. 2024. DOI: 10.26434/chemrxiv-2024-33sfl

  • †Contributed equally

4. M. Seifrid†,*, S. Lo†, D.G. Choi, G. Tom, M.L. Le, K. Li‡, R. Sankar‡, H.-T. Vuong‡, A. Yi‡, Z. Zhu‡, N. Schopp, A. Peng, B. Luginbuhl, T.-Q. Nguyen*, A. Aspuru-Guzik*, Beyond Molecular Structure: Critically Assessing Machine Learning for Designing Organic Photovoltaic Materials and Devices, ChemRxiv, 2024. DOI: 10.26434/chemrxiv-2024-d20px-v2

  • *Corresponding author

  • †,‡Contributed equally

At NC State

1. M. Allen, K. Bediako, W. J. Bowman, M. Calabrese, L. Caretta, R. K. Cersonsky, W. Chen, S. Correa, R. Davidson, L. Dresselhaus-Marais, C. N. Eisler, A. Furst, T. Ge, A. Hook, Y.-T. Hsu, C. Jia, J. Lu, A. Lunghi, M. S. Messina, I. A. Moreno-Hernandez, E. Nichols, R. Rao, M. Seifrid, K. E. Shulenberger, A. N. Simonov, X. Su, D. F. Swearer, E. Tang, M. K. Taylor, H. Tran, G. F. Trindade, R. Truby, H. Utzat, Y. Yang, D. W. Yee, S. Zhao, S. Cranford, 35+1 challenges in materials science being tackled by PIs under 35(ish) in 2023. Matter. 2023, 6 (8), 2480-2487. DOI: 10.1016/j.matt.2023.06.046

Prior to NC State

33. F. Strieth-Kalthoff, H. Hao, V. Rathore, J. Derasp, T. Gaudin, N. H. Angello, M. Seifrid, E. Trushina, M. Guy, J. Liu, X. Tang, M. Mamada, W. Wang, T. Tsagaantsooj, C. Lavigne, R. Pollice, T. C. Wu, K. Hotta, L. Bodo, S. Li, M. Haddadnia, A. Wolos, R. Roszak, C.-T. Ser, C. Bozal-Ginesta, R. J. Hickman, J. Vestfrid, A. Aguilar-Gránda, E. L. Klimareva, R. C. Sigerson, W. Hou, D. Gahler, S. Lach, A. Warzybok, O. Borodin, S. Rohrbach, B. Sanchez-Lengeling, C. Adachi, B. A. Grzybowski, L. Cronin, J. E. Hein, M. D. Burke, A. Aspuru-Guzik, Delocalized, Asynchronous, Closed-Loop Discovery of Organic Laser Emitters, Science. 2023, 384 (6697). DOI: 10.1126/science.adk9227

32. M. Seifrid†, A. Karki†, H. Wakidi, H. Vezin, G. C. Bazan, B. F. Chmelka, T.-Q. Nguyen, G. N. M. Reddy, Importance of short-range order in governing thin film morphology and electronic properties of polymeric organic semiconductor. Chem. Mater. 2023, accepted. 

  • †Contributed equally

31. S. Lo, M. Seifrid, T. Gaudin, A. Aspuru-Guzik, Augmenting Polymer Datasets by Iterative Rearrangement. J. Chem. Inf. 2023. In press. DOI: 10.1021/acs.jcim.3c00144

30. T. C. Wu, A. A. Granda, K. Hotta, S. A. Yazdani, R. Pollice, J. Vestfrid, H. Hao, C. Lavigne, M. Seifrid, N. Angello, F. Bencheikh, J. E. Hein, M. Burke, C. Adachi, A. Aspuru-Guzik, A Materials Acceleration Platform for Organic Laser Discovery. Adv. Mater. 2022, 2207070. DOI: 10.1002/adma.202207070

29. M. Seifrid, R. Pollice, A. Aguilar-Granda, Z. Morgan Chan, K. Hotta, C. T. Ser, J. Vestfrid, T. C. Wu, A. Aspuru-Guzik, Autonomous Chemical Experiments: Challenges and Perspectives on Establishing a Self-Driving Lab. Acc. Chem. Res. 2022, 55 (17), 2454-2466. DOI: 10.1021/acs.accounts.2c00220

28. M. Seifrid, J. Hattrick-Simpers, A. Aspuru-Guzik, T. Kalil, S. Cranford, Reaching critical MASS: Crowdsourcing designs for the next generation of materials acceleration platforms. Matter. 2022, 5 (7), 1972-1976. DOI: 10.1016/j.matt.2022.05.035

  • Guest editor for special issues in Matter and Cell Reports Physical Science

27. M. Seifrid, R. J. Hickman, A. Aguilar-Granda, C. Lavigne, J. Vestfrid, T. C. Wu, T. Gaudin, E. J. Hopkins, A. Aspuru-Guzik, Routescore: Punching the Ticket to More Efficient Materials Development. ACS Cent. Sci. 2022. Online. DOI: 10.1021/acscentsci.1c01002

26. B. R. Luginbuhl, S.-J. Ko, N. A. Ran, H. Hu, S. M. Becwar, A. Karki, M. Seifrid, T. Okubo, M. Wang, H. W. Ade, B. F. Chmelka, G. C. Bazan, G. N. Manjunatha Reddy, T.-Q. Nguyen, Low Voltage-Loss Organic Solar Cells Light the Way for Efficient Semitransparent Photovoltaics. Solar RRL. 2022, 6, 2200135. DOI: 10.1002/solr.202200135

25. S. Halaby, M. Martynowycz, Z. Zhu, S. Tretiak, A. Zhugayevych*, T. Gonen* and M. Seifrid*, Microcrystal Electron Diffraction for Molecular Design of Functional Non-Fullerene Acceptor Structures. Chem. Mater. 2021, 33 (3), 966-977. DOI: 10.1021/acs.chemmater.0c04111

  • *Corresponding authors

24. M. Seifrid and A. Aspuru-Guzik, You Wouldn’t Download a Molecule! Now, ChemSCAD Makes It Possible. ACS Cent. Sci. 2021, 7, 228-230. DOI: 10.1021/acscentsci.1c00108

23. M. Seifrid, G. N. M. Reddy, B. F. Chmelka and G. C. Bazan, Insight into the Structures and Dynamics of Organic Semiconductors through Solid-State NMR Spectroscopy. Nat. Rev. Mater. 2020, 5, 910-930. DOI: 10.1038/s41578-020-00232-5

22. R. Sharma, H. Lee, M. Seifrid, V. Gupta, G. C. Bazan and S. Yoo, Performance Enhancement of Conjugated Polymer-Small Molecule-Non Fullerene Ternary Organic Solar Cells by Tuning Recombination Kinetics and Molecular Ordering. Solar Energy 2020, 201, 499-507. DOI: 10.1016/j.solener.2020.03.008

21. M. Ford, M. Suzuki, C. Bridges, K. Bustillo, M. Seifrid, M. Wang, H. Yamada, T.-Q. Nguyen and G. C. Bazan, Robust Unipolar Electron Conduction using an Ambipolar Polymer Semiconductor with Solution-Processable Additive. Chem. Mater. 2020, 32 (16), 6831-6837. DOI: 10.1021/acs.chemmater.0c00234

20. J. Vollbrecht, J. Lee, S.-J. Ko, V. V. Brus, A. Karki, W. Le, M. Seifrid, M. J. Ford, K. Cho, G. C. Bazan and T.-Q. Nguyen, Design of Narrow Bandgap Non-Fullerene Acceptors for Photovoltaic Applications and Investigation of Non-Geminate Recombination Dynamics. J. Mater. Chem. C 2020, 8, 15175-15182. DOI: 10.1039/D0TC02136A

19. M. T. Seifrid, G. N. M. Reddy, C. Zhou, B. F. Chmelka and G. C. Bazan, Direct Observation of the Relationship Between Molecular Topology and Bulk Morphology for a π-Conjugated Material. J. Am. Chem. Soc. 2019, 141 (13), 5078-5082. DOI: 10.1021/jacs.8b13200

18. Y. Xu, J. Yuan, S. Zhou, M. Seifrid, L. Ying, B. Li, F. Huang, G. C. Bazan and W. Ma, Ambient Processable and Stable All-Polymer Organic Solar Cells. Adv. Funct. Mater. 2019, 29 (8), 1806747. DOI: 10.1002/adfm.201806747

17. A. Karki, G.-J. A. H. Wetzelaer, G. N. M. Reddy, V. Nádazdy, M. Seifrid, F. Schauer, G. C. Bazan, B. F. Chmelka, P. W. M. Blom and T.-Q. Nguyen, Unifying Energetic Disorder from Charge Transport and Band Bending in Organic Semiconductors. Adv. Funct. Mater. 2019, 29 (20), 1901109. DOI: 10.1002/adfm.201901109

16. A. T. Lill, A. F. Eftaiha, J. Huang, H. Yang, M. Seifrid, M. Wang, G. C. Bazan and T.-Q. Nguyen, High-k Fluoropolymer Gate Dielectric in Electrically Stable Organic Field-Effect Transistors. ACS Appl. Mater. Interfaces 2019 11 (17), 15821-15828. DOI: 10.1021/acsami.8b20827

15. J. Lee, S.-J. Ko, H. Lee, J. Huang, Z. Zhu, M. Seifrid, J. Vollbrecht, V. Brus, H. Wang, K. Cho, T.-Q. Nguyen and G. C. Bazan, Side-Chain Engineering of Non-Fullerene Acceptors for Near-Infrared Organic Photodetectors and Photovoltaics. ACS Energy Lett. 2019, 4 (6), 1401-1409. DOI: 10.1021/acsenergylett.9b00721

14. B. Yurash, D. Leifert, G. N. M. Reddy, D. X. Cao, S. Biberger, V. V. Brus, M. Seifrid, P. J. Santiago, A. Köhler, B. F. Chmelka, G. C. Bazan and T.-Q. Nguyen, Atomic-Level Insight into the Post Synthesis Bandgap Engineering of a Lewis Basic Polymer Using the Lewis Acid Tris(pentafluorophenyl)borane. Chem. Mater. 2019, 31 (17), 6715-6725. DOI: 10.1021/acs.chemmater.9b01224

13. B. Yurash, D. X. Cao, V. V. Brus, D. Leifert, M. Wang, A. Dixon, M. Seifrid, A. E. Mansour, D. Lungwitz, T. Liu, P. J. Santiago, K. R. Graham, N. Koch, G. C. Bazan and T.-Q. Nguyen, Towards Understanding the Doping Mechanism of Organic Semiconductors by Lewis Acids. Nat. Mater. 2019, 18, 1327-1334. DOI: 10.1038/s41563-019-0479-0

12. M. T. Seifrid, S. D. Oosterhout, M. F. Toney and G. C. Bazan, Kinetic Versus Thermodynamic Orientational Preferences for a Series of Isomorphic Molecular Semiconductors. ACS Omega 2018, 3 (8), 10198–10204. DOI: 10.1021/acsomega.8b01435

11. J. Lee, S.-J. Ko, M. Seifrid, H. Lee, C. McDowell, B. R. Luginbuhl, A. Karki, K. Cho, T.-Q. Nguyen and G. C. Bazan, Design of Nonfullerene Acceptors with Near-Infrared Light Absorption Capabilities. Adv. Energy Mater. 2018, 8 (26), 1801209. DOI: 10.1002/aenm.201801209

10. J. Lee, S.-J. Ko, M. Seifrid, H. Lee, B. R. Luginbuhl, A. Karki, M. Ford, K. Rosenthal, K. Cho, T.-Q. Nguyen and G. C. Bazan, Bandgap Narrowing in Non-Fullerene Acceptors: Single Atom Substitution Leads to High Optoelectronic Response Beyond 1000 nm. Adv. Energy Mater. 2018, 8 (24), 1801212. DOI: 10.1002/aenm.201801212

9. M. P. Hughes, K. D. Rosenthal, N. A. Ran, M. Seifrid, G. C. Bazan and T.-Q. Nguyen, Determining the Dielectric Constants of Organic Photovoltaic Materials Using Impedance Spectroscopy. Adv. Funct. Mater. 2018, 28 (32), 1801542. DOI: 10.1002/adfm.201801542

8. C. McDowell, K. Narayanaswamy, B. Yadagiri, T. Gayathri, M. Seifrid, R. Datt, S. M. Ryno, M. C. Heifner, V. Gupta, C. Risko, S. P. Singh and G. C. Bazan, Impact of Rotamer Diversity on the Self-Assembly of Nearly Isostructural Molecular Semiconductors. J. Mater. Chem. A 2018, 6 (2), 383–394. DOI: 2018/ta/c7ta09972j

7. M. Seifrid, M. J. Ford, M. Li, K. M. Koh, P. Trefonas and G. C. Bazan, Electrical Performance of a Molecular Organic Semiconductor Under Thermal Stress. Adv. Mater. 2017, 29 (12), 1605511. DOI: 10.1002/adma.201605511

6. B. Wang, G. Feng, M. Seifrid, M. Wang, B. Liu and G. C. Bazan, Antibacterial Narrow-Band-Gap Conjugated Oligoelectrolytes with High Photothermal Conversion Efficiency. Angew. Chem. Int. Ed. 2017, 56 (50), 16063–16066. DOI: 10.1002/anie.201709887

5. C. Zhou, Q. Cui, C. McDowell, M. Seifrid, X. Chen, J.-L. Brédas, M. Wang, F. Huang and G. C. Bazan, Topological Transformation of π-Conjugated Molecules Reduces Resistance to Crystallization. Angew. Chem. Int. Ed. 2017, 56 (32), 9318–9321. DOI: 10.1002/anie.201702646

4. M. Wang, M. J. Ford, C. Zhou, M. Seifrid, T.-Q. Nguyen and G. C. Bazan, Linear Conjugated Polymer Backbones Improve Alignment in Nanogroove-Assisted Organic Field-Effect Transistors. J. Am. Chem. Soc. 2017, 139 (48), 17624–17631. DOI: 10.1021/jacs.7b10332

3. S. L. Fronk, Y. Shi, M. Seifrid, C.-K. Mai, C. McDowell and G. C. Bazan, Chiroptical Properties of a Benzotriazole–Thiophene Copolymer Bearing Chiral Ethylhexyl Side Chains. Macromol. 2016, 49 (24), 9301-9308. DOI: 10.1021/acs.macromol.6b02229

2. J. Facendola, M. Seifrid, J. S. Siegel, P. I. Djurovich and M. E. Thompson, Synthesis and Characterization of Phosphorescent Platinum and Iridium Complexes with Cyclometalated Corannulene. Dalton Trans. 2015, 44, 8456-8466. DOI: 10.1039/C4DT03541K

1. L. F. Gomez, et al., Shapes and Vorticities of Superfluid Helium Nanodroplets. Science 2014, 345 (6199), 906–909. DOI: 10.1126/science.1252395