Publications

Knepp, Z. J.; Repa, G. M.; Fredin, L. A. Excited-State Methods for Molecular Systems: Performance, Pitfalls, and Practical Guidance. Accepted at Chem. Phys. Rev. 2025.
Chen, A. H.; Knepp, Z. J.; Guzman, C. A.; Young, E. R.; Fredin, L. A. Intramolecular Subtleties in Indole Azo Dyes Revealed by Multidimensional Potential Energy Surfaces. Phys. Chem. Chem. Phys. 2025,27, 6430-6437

Yan, M.; Bowman, Z.; Knepp, Z. J.; Peterson, A.; Fredin, L. A.; Morris, A. J. Reaction Type Dependent Behavior of Redox-Hopping in MOFs–Does Charge Transport Have a Preferred Direction? J. Phys. Chem. Lett. 2024, 15, 11919–11926.
Knepp, Z. J.; Hamburger, R. C.; Thongchai, I. A.; Englehart, K.; Sorto, K.; Jaffer, A.; Young, E. R.; Fredin, L. A. Pinning Down Small Populations of Photoinduced Intermediates Using Transient Absorption Spectroscopy and Time-Dependent Density Functional Theory Difference Spectra to Provide Mechanistic Insight into Controlling Pyridine Azo Dynamics with Protons. J. Phys. Chem. Lett. 2024, 15, 9593–9600.
Repa, G. M.; Knepp, Z. J.; Fredin, L. A. A-site doping to alter oxygen vacancy diffusion in SrTiO3. ACS Omega 2024, 24, 26719–26723.
Knepp, Z. J.; Fredin, L. A. Finite-displacement Boltzmann transport theory reveals the detrimental effects of high-frequency normal modes on mobility. Phys. Rev. B 2024, 109, 094307.
Thongchai, I. A.; Knepp, Z. J.; Fertal, D. R.; Flynn, H.; Young, E. R.; Fredin, L. A. Acid Violet 3: A base activated water-soluble photoswitch. J. Phys. Chem. A 2024, 128, 785–791.

Martin, S. M.; Knepp, Z. J.; Thongchai, I. A.; Englehart, K.; Sorto, K.; Jaffer, A.; Fredin, L. A.; Young, E. R. The doorstop proton: acid-controlled photoisomerization in pyridine-based azo dyes. New J. Chem. 2023, 47, 11882–11889.
Knepp, Z. J.; Masso, G. B.; Fredin, L. A. Efficiently predicting directional carrier mobilities in organic materials with the Boltzmann transport equation. J. Chem. Phys. 2023, 158, 064704.

Knepp, Z. J.; Fredin, L. A. Real temperature model of dynamic disorder in molecular crystals. J. Phys. Chem. A 2022, 126, 3265–3272.

Knepp, Z. J.; Ghaner, A.; Root, K. T. Purification and refolding protocol for cold-active recombinant esterase AaSGNH1 from Aphanizomenon flos-aquae expressed as insoluble inclusion bodies. Prep. Biochem. Biotech. 2021, 52, 394–403.