Controlling nucleation, growth, and orientation of metal halide perovskite thin films with rationally selected additives BJ Foley, J Girard, BA Sorenson, AZ Chen, JS Niezgoda, MR Alpert, ... Journal of Materials Chemistry A 5 (1), 113-123, 2017 | 141 | 2017 |
An atlas of peroxiredoxins created using an active site profile-based approach to functionally relevant clustering of proteins AF Harper, JB Leuthaeuser, PC Babbitt, JH Morris, TE Ferrin, LB Poole, ... PLoS Computational Biology 13 (2), e1005284, 2017 | 26 | 2017 |
Laser‐Printed Organic Thin‐Film Transistors PJ Diemer, AF Harper, MR Niazi, AJ Petty, JE Anthony, A Amassian, ... Advanced Materials Technologies 2 (11), 1700167, 2017 | 25 | 2017 |
Computational investigation of copper phosphides as conversion anodes for lithium-ion batteries AF Harper, ML Evans, AJ Morris Chemistry of Materials 32 (15), 6629-6639, 2020 | 24 | 2020 |
Ab initio Structure Prediction Methods for Battery Materials AF Harper, ML Evans, JP Darby, B Karasulu, CP Koçer, JR Nelson, ... Johnson Matthey Technology Review, 2019 | 19* | 2019 |
Contact patterning by laser printing for flexible electronics on paper AF Harper, PJ Diemer, OD Jurchescu npj Flexible Electronics 3 (1), 11, 2019 | 18 | 2019 |
An approach to functionally relevant clustering of the protein universe: Active site profile‐based clustering of protein structures and sequences ST Knutson, BM Westwood, JB Leuthaeuser, BE Turner, D Nguyendac, ... Protein Science 26 (4), 677-699, 2017 | 15 | 2017 |
Modelling amorphous materials via a joint solid-state NMR and X-ray absorption spectroscopy and DFT approach: application to alumina AF Harper, SP Emge, PCMM Magusin, CP Grey, AJ Morris Chemical Science 14 (5), 1155-1167, 2023 | 13 | 2023 |
DASP3: identification of protein sequences belonging to functionally relevant groups JB Leuthaeuser, JH Morris, AF Harper, TE Ferrin, PC Babbitt, JS Fetrow BMC bioinformatics 17, 1-13, 2016 | 8 | 2016 |
Vibrational and thermal properties of amorphous alumina from first principles AF Harper, K Iwanowski, WC Witt, MC Payne, M Simoncelli Physical Review Materials 8 (4), 043601, 2024 | 2 | 2024 |
Performance metrics for tensorial learning: prediction of Li4Ti5O12 nuclear magnetic resonance observables at experimental accuracy AF Harper, SS Köcher, K Reuter, C Scheurer | 1 | 2024 |
Structure prediction of stable sodium germanides at 0 and 10 GPa JP Darby, AF Harper, JR Nelson, AJ Morris arXiv preprint arXiv:2402.15299, 2024 | 1 | 2024 |
Tracking Li atoms in real-time with ultra-fast NMR simulations AF Harper, T Huss, S Koecher, C Scheurer Faraday Discussions, 2024 | 1 | 2024 |
Finite-temperature effects on the x-ray absorption spectra of crystalline alumina from first principles AF Harper, B Monserrat, AJ Morris AIP Advances 13 (5), 2023 | 1 | 2023 |
Ab Initio Prediction of Metal Phosphide Anode Materials for Lithium and Beyond Lithium Batteries AF Harper | 1 | 2019 |
The EFG Rosetta Stone: Translating between DFT calculations and solid state NMR experiments JV Reina, F Civaia, AF Harper, C Scheurer, S Köcher Faraday Discussions, 2024 | | 2024 |
Research data supporting" Finite-Temperature Effects on the X-ray Absorption Spectra of Crystalline Aluminas from First Principles" A Harper | | 2023 |
Research data supporting" Modelling amorphous materials via a joint solid-state NMR and X-ray absorption spectroscopy and DFT approach: application to alumina" A Harper, SP Emge, P Magusin, CP Grey, AJ Morris | | 2023 |
Modelling amorphous materials via a joint solid-state NMR and X-ray absorption spectroscopy and DFT approach AF Harper, SP Emge, PCMM Magusin, CP Grey, A Morris | | 2023 |
Extending first principles spectroscopy to disordered materials: a study on amorphous and crystalline aluminas AF Harper | | 2022 |