Publications

50. AM Chan, AK Nijhawan, DJ Hsu, D Leshchev, D Rimmerman, I Kosheleva, KL Kohlstedt, LX Chen. “The Role of Transient Intermediate Structures in the Unfolding of the Trp-Cage Fast-Folding Protein: Generating Ensembles from Time-Resolved X-ray Solution Scattering with Genetic Algorithms” J. Phys. Chem. Lett. 2023, 14 , 1133–1139. doi:10.1021/acs.jpclett.2c03680 Corresponding author TOC

49. W Zhu, G Li, S Mukherjee, NE Powers-Riggs, LO Jones, E Gann, RJ Kline, A Herzing, JL Logsdon, L Flagg, CL Stern, RM Young, KL Kohlstedt, GC Schatz, DM DeLongchamp, MR Wasielewski, FS Melkonyan, A Facchetti, TJ Marks. “Quantitative relationships between film morphology, charge carrier dynamics, and photovoltaic performance in bulk-heterojunction binary vs. ternary acceptor blends” Energy & Environmental Science 2023, 16 , 1234-1250. doi:2023/ee/d2ee03883h Corresponding author TOC

48. CJ Zeman IV, G Kang,KL Kohlstedt. “Controlling Aggregation-Induced Two-Photon Absorption Enhancement via Intermolecular Interactions” ACS Applied Materials & Interfaces 2022, 14 , 45644-45657. doi:10.1021/acsami.2c12436 Corresponding author TOC

47. D Streater, K Duisenova, J Luo, KL Kohlstedt, J Zhang, J Huang. “Impact of π-Conjugation Length on the Excited-State Dynamics of Star-Shaped Carbazole-π-Triazine Organic Chromophores” J. Phys. Chem. A. 2022, 126 , 3291-3300. doi:10.1021/acs.jpca.2c00682 Corresponding author TOC

46. D Streater, D Wang, C Fiankor, E Kennehan, D Liu, KL Kohlstedt, L Luo, J Zhang, J Huang. “Imine Reversal Mediates Charge Separation and CO2 Photoreduction in Covalent Organic Frameworks” Res. Square 2022, DOI: https://doi.org/10.21203/rs.3.rs-1554507/v1 , 2-19. doi:ASAP Corresponding author TOC

45. F Qi, LO Jones, K Jiang, S-H Jang, W Kaminsky, J Oh, H Zhang, Z Cai, C Yang, KL Kohlstedt, GC Schatz, FR Lin, TJ Marks, A K-Y Jen. “Regiospecific N-alkyl substitution tunes the molecular packing of high-performance non-fullerene acceptors” Mat. Hor. 2022, 9 , 403-410. doi:2022/ee/d1ee03225a Corresponding author TOC

44. G Li, L-W Feng, S Mukherjee, LO Jones, RM Jacobberger, W Huang, RM Young, R Pankow, S Zhu, N Lu, KL Kohlstedt, VK Sangwan, MR Wasielewski, MC Hersam, GC Schatz, D DeLongchamp, A Facchetti, TJ Marks. “Non-fullerene acceptors with direct and indirect hexa-fluorination afford> 17% efficiency in polymer solar cells” En. & Env. Sci. 2022, 15 , 645-659. doi:2021/xx/d1mh01127h Corresponding author TOC

43. AK Nijhawan, AM Chan, DJ Hsu, LX Chen, KL Kohlstedt. “Resolving Dynamics in the Ensemble: Finding Paths through Intermediate States and Disordered Protein Structures” J. Phys. Chem. C 2021, 125 , 12401-12412. doi:10.1021/acs.jpcb.1c05820 Corresponding author TOC

42. G Li, X Zhang, LO Jones, JM Alzola, S Mukherjee, L-w Feng, W Zhu, C L Stern, W Huang, J Yu, VK Sangwan, DM DeLongchamp, KL Kohlstedt, MR Wasielewski, MC Hersam, GC Schatz, A Facchetti, TJ Marks. “Systematic merging of nonfullerene acceptor π-extension and tetrafluorination strategies affords polymer solar cells with> 16% efficiency” J. Am. Chem. Soc 2021, 143 , 6123–6139. doi:10.1021/jacs.1c00211 Corresponding author TOC

41. DJ Hsu, D Leshchev, I Kosheleva, KL Kohlstedt, LX Chen. “Unfolding bovine α-lactalbumin with T-jump: Characterizing disordered intermediates via time-resolved x-ray solution scattering and molecular dynamics simulations” Nanotechnology 2021, 154, 105101. doi:154/10/105101/1074728 Corresponding author TOC

40. U Banin, N Waiskopf, L Hammarström, G Boschloo, M Freitag, EMJ Johansson, J Sá, Haining Tian, MB Johnston, LM Herz, RL Milot, MG Kanatzidis, W Ke, I Spanopoulos, KL Kohlstedt, GC Schatz, N Lewis, T Meyer, AJ Nozik, MC Beard, F Armstrong, CF Megarity, CA Schmuttenmaer, VS Batista, GW Brudvig. “Nanotechnology for catalysis and solar energy conversion” Nanotechnology 2020, 32, 042003. doi:10.1088/1361-6528 Corresponding author TOC

39. L Sun, H Lin, KL Kohlstedt, MC Hersam, GC Schatz, CA Mirkin. “Design Principles for Photonic Crystals Based on Plasmonic Nanoparticle Superlattices” Sph. Nuc. Acids. 2020, , 1351-1369. doi:10.1021/x TOC

38. W Zhu, AP Spencer, S Mukherjee, JM Alzola, VK Sangman, SH Amsterdam, SM Swick, LO Jones, MC Heiber, AA Herzing, GLi, CL Stern, DM DeLongchamp, KL Kohlstedt, MC Hersam, GC Schatz, MR Wasielewski, LX Chen, A Facchetti, TJ Marks. “Crystallography, morphology, electronic structure, and transport in non-fullerene/non-indacenodithienothiophene polymer: Y6 solar cells” J. Am. Chem. Soc. 2020, 142, 14532-14547. doi:10.1021/jacs.0c05560 Corresponding author TOC

37. SM Swick, JM Alzola, VK Sangwan, SH Amsterdam, W Zhu, LO Jones, N Powers-Riggs, A Facchetti, KL Kohlstedt, GC Schatz, MC Hersam, MR Wasielewski, TJ Marks. “Fluorinating π‐Extended Molecular Acceptors Yields Highly Connected Crystal Structures and Low Reorganization Energies for Efficient Solar Cells” Adv. En. Mat. 2020, 10, 2000635. doi:10.1002/aenm.202000635 Corresponding author TOC

36. DJ Hsu, D Leshchev, I Kosheleva, KL Kohlstedt, LX Chen. “Integrating solvation shell structure in experimentally driven molecular dynamics using x-ray solution scattering data” J.Chem. Phys. 2020, 152, 204115. doi:152/20/204115/1065266 Corresponding author TOC

35. B Movaghar, L Jones, MA Ratner, GC Schatz, KL Kohlstedt, “Are Transport Models Able To Predict Charge Carrier Mobilities in Organic Semiconductors?” J. Phys. Chem. C 2019, 123, 29499-29512. doi:10.1021/acs.jpcc.9b06250 Corresponding author TOC

34. W Zhu, W Zhu, JM Alzola, TJ Aldrich, KL Kohlstedt, D Zheng, PE Hartnett, ND Eastham, W Huang, G Wang, RM Young, GC Schatz, MR Wasielewski, A Facchetti, FS Melkonyan, TJ Marks, “Fluorine Tuning of Morphology, Energy Loss, and Carrier Dynamics in Perylenediimide Polymer Solar Cells” ACS Energy Lett. 2019, 4, 2695. doi:10.1021/acsenergylett.9b02146 Corresponding author TOC

33. SM Swick, T Gebraad, L Jones, B Fu, TJ Aldrich, KL Kohlstedt, GC Schatz, A Facchetti, TJ Marks, “Building Blocks for High‐Efficiency Organic Photovoltaics. Interplay of Molecular, Crystal, and Electronic Properties of Post‐Fullerene ITIC Ensembles” Chem.Phys.Chem. 2019, 20, 2608. doi:10.1002/cphc.201900793 Corresponding author TOC

32. G Wang, SM Swick, M Matta, S Mukherjee, JW Strzalka, JL Logsdon, S Fabiano, W Huang, TJ Aldrich, T Yang, A Timalsina, N Powers-Riggs, JM Alzola, RM Young, DM DeLongchamp, MR Wasielewski, KL Kohlstedt, GC Schatz, FS Melkonyan, A Facchetti, TJ Marks, “Photovoltaic blend microstructure for high efficiency post-fullerene solar cells. To tilt or not to tilt?” JACS 2019, 141 , 13410-13420. doi:10.1021/jacs.9b03770 Corresponding author TOC

31. SM Swick, W Zhu, M Matta, TJ Aldrich, A Harbuzaru, JTL Navarrete, RP Ortiz, KL Kohlstedt, GC Schatz, A Facchetti, FS Melkonyan, TJ Marks, “Closely packed, low reorganization energy π-extended postfullerene acceptors for efficient polymer solar cells” PNAS 2018, 115, E8341-E8348. doi:10.1073/pnas.1807535115 Corresponding author TOC

30. KL Kohlstedt, NE Jackson, BM Savoie, MA Ratner, “Introduction to Organic Semiconductors Using Accessible Undergraduate Chemistry Concepts” J. Chem. Ed. 2018, 95, 1500-1511. doi:10.1021/acs.jchemed.8b00064 Corresponding author TOC

29. L Sun, H Lin, KL Kohlstedt, GC Schatz, CA Mirkin, “Design principles for photonic crystals based on plasmonic nanoparticle superlattices” PNAS 2018, 115, 7242-7247. doi:10.1073/pnas.1800106115 TOC

28. MA Mosquera, B Fu, KL Kohlstedt, GC Schatz, MA Ratner, “Wave Functions, Density Functionals, and Artificial Intelligence for Materials and Energy Research: Future Prospects and Challenges” ACS Energy Lett. 2017, 3, 155-162. doi:10.1021/acsenergylett.7b01058 TOC

27. MR Jones, KL Kohlstedt, MN O’Brien, J Wu, GC Schatz, CA Mirkin, “Deterministic Symmetry Breaking of Plasmonic Nanostructures Enabled by DNA-Programmable Assembly” Nano Lett. 2017, 17, 5830-5835. doi:10.1021/acs.nanolett.7b03067 TOC

26. VY Cho, BJ Hong, KL Kohlstedt, GC Schatz, ST Nguyen, “The competing effects of core rigidity and linker flexibility in the nanoassembly of trivalent small molecule-DNA hybrids (SMDH3)–a synergistic experimental-modeling study” Nanoscale 2017, 9, 12652-12663. doi:10.1039/C7NR01931A TOC

25. AG Gagorik, BM Savoie, NE Jackson, A Agrawal, A Choudhary, MA Ratner, GC Schatz, KL Kohlstedt, “Improved Scaling of Molecular Network Calculations: The Emergence of Molecular Domains” J. Chem. Phys. Lett. 2017, 8, 415–421. doi:10.1021/acs.jpclett.6b02921 Corresponding author TOC

24. NE Jackson, KL Kohlstedt, LX Chen, MA Ratner, “A n-vector model for charge transport in molecular semiconductors” J. Chem. Phys. 2016, 145, 204102. doi:10.1063/1.4967865 Corresponding author TOC

23. SN Barnaby, GA Perelman, KL Kohlstedt, AB Chinen, GC Schatz, CA Mirkin, “Design Considerations for RNA Spherical Nucleic Acids (SNAs)” Bioconjugate Chemistry 2016, 27, 2124-2131. doi:10.1021/acs.bioconjchem.6b00350 TOC

22. KL Kohlstedt “Mind the Gap” ACS Central Science. Interfaces 2016, 2, 278. TOC

21. NE Jackson, KL Kohlstedt, BM Savoie, M Olvera de la Cruz, GC Schatz, LX Chen, MA Ratner, “Conformational order in aggregates of conjugated polymers” J. Am. Chem. Soc. 2015, 137, 6254-6262. doi:10.1021/jacs.5b00493 Corresponding author TOC

20. PS Randeria, MR Jones, KL Kohlstedt, RJ Banga, M Olvera de la Cruz, GC Schatz, CA Mirkin, “What controls the hybridization thermodynamics of spherical nucleic acids?” J. Am. Chem. Soc. 2015, 137, 3486-3489. doi:10.1021/jacs.5b00670 TOC

19. MN O’Brien, MR Jones, KL Kohlstedt, GC Schatz, CA Mirkin, “Uniform circular disks with synthetically tailorable diameters: Two-dimensional nanoparticles for plasmonics” Nano Lett. 2015, 15, 1012-1017. doi:10.1021/nl5038566 TOC

18. BM Savoie, KL Kohlstedt, NE Jackson, LX Chen, MO de la Cruz, GC Schatz, TJ Marks, MA Ratner, “Mesoscale molecular network formation in amorphous organic materials” Proc. Nat. Acad. Sci. 2014, 111, 10055-10060. doi:10.1073/pnas.1409514111 TOC

17. NE Jackson, BM Savoie, KL Kohlstedt, TJ Marks, LX Chen, MA Ratner, “Structural and conformational dispersion in the rational design of conjugated polymers” Macromolecules 2014, 47, 987-992. doi:10.1021/ma4023923 TOC

16. D Ortiz, KL Kohlstedt, TD Nguyen, SC Glotzer, “Self-assembly of reconfigurable colloidal molecules” Soft Matter 2014, 10, 3541-3552. doi:10.1039/C4SM00026A TOC

15. S Dhakal, KL Kohlstedt, GC Schatz, CA Mirkin, M Olvera de la Cruz, “Growth dynamics for DNA-guided nanoparticle crystallization” ACS Nano 2013, 7, 10948-10959. doi:10.1021/nn404476f TOC

14. NE Jackson, BM Savoie, KL Kohlstedt, M Olvera de la Cruz, GC Schatz, LX Chen, MA Ratner, “Controlling conformations of conjugated polymers and small molecules: The role of nonbonding interactions” J. Am. Chem. Soc. 2013, 135, 10475-10483. doi:10.1021/ja403667s TOC

13. AA Shah, B Schultz, KL Kohlstedt, SC Glotzer, MJ Solomon, “Synthesis, assembly, and image analysis of spheroidal patchy particles” Langmuir 2013, 29/span>, 4688-4696. doi:10.1021/la400317t TOC

12. KL Kohlstedt, SC Glotzer, “Self-assembly and tunable mechanics of reconfigurable colloidal crystals” Phys. Rev. E 2013, 87, 032305. doi:10.1103/PhysRevE.87.032305 TOC

11. KL Kohlstedt, M Olvera de la Cruz, GC Schatz, “Controlling Orientational Order in 1-D Assemblies of Multivalent Triangular Prisms” J. Chem. Phys. Lett. 2012, 4, 203-208. doi:10.1021/jz301953k TOC

10. AA Shah, H Kang, KL Kohlstedt, KH Ahn, SC Glotzer, CW Monroe, MJ Solomon, “Liquid crystal order in colloidal suspensions of spheroidal particles by direct current electric field assembly” Small 2012, 8, 1551-1562. doi:10.1002/smll.201102265 TOC

9. KL Kohlstedt, G Vernizzi, MO de la Cruz, “Electrostatics and optimal arrangement of ionic triangular lattices confined to cylindrical fibers” Phys. Rev. E 2009, 80, 051503. doi:10.1103/PhysRevE.80.051503 TOC

8. KL Kohlstedt, G Vernizzi, MO de la Cruz, “Surface patterning of low-dimensional systems: the chirality of charged fibres” J. Phys.: Cond. Mat. 2009, 21, 424114. doi:10.1088/0953-8984 TOC

7. G Vernizzi, KL Kohlstedt, MO de La Cruz, “The electrostatic origin of chiral patterns on nanofibers” Soft Matter 2009, 5, 736-739. doi:10.1039/B814583K TOC

6. NL Fawzi, EH Yap, Y Okabe, KL Kohlstedt, SP Brown, T Head-Gordon, “Contrasting disease and nondisease protein aggregation by molecular simulation” Acct. Chem. Res. 2008, 41, 1037-1047. doi:10.1021/ar800062kTOC

5. NL Fawzi, KL Kohlstedt, Y Okabe, T Head-Gordon, “Protofibril Assemblies of the Arctic, Dutch, and Flemish Mutants of the Alzheimer’s Aβ 1–40 Peptide” Biophys. J. 2008, 94, 2007-2016. doi:10.1529/biophysj.107.121467 TOC

4. KL Kohlstedt, FJ Solis, G Vernizzi, MO de La Cruz, “Spontaneous chirality via long-range electrostatic forces” Phys. Rev. Lett. 2007, 99, 030602. doi:10.1103/PhysRevLett.99.030602 TOC

3. KL Kohlstedt, G Vernizzi, MO de la Cruz, “Patterning Cylindrical Fibers with Long-Range Electrostatic Forces” MRS Proc. 2007, 1062, 1062-NN05-17.

2. K Kohlstedt, A Snezhko, MV Sapozhnikov, IS Aranson, JS Olafsen, E Ben-Naim, “Velocity distributions of granular gases with drag and with long-range interactions” Phys. Rev. Lett. 2005, 95, 068001. doi: 10.1103/PhysRevLett.95.068001 TOC

1. MV Sapozhnikov, A Peleg, B Meerson, IS Aranson, KL Kohlstedt, ” Phys. Rev. E 2005, 71, 011307. doi:10.1103/PhysRevE.71.011307 TOC

Dept. of Chemistry | Kohlstedt Group |Northwestern University | Evanston, Illinois | [email protected]