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Angela F. Harper
Angela F. Harper
在 fhi-berlin.mpg.de 的电子邮件经过验证 - 首页
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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
1412017
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
262017
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
252017
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
242020
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
182019
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
152017
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
132023
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
82016
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
22024
Performance metrics for tensorial learning: prediction of Li4Ti5O12 nuclear magnetic resonance observables at experimental accuracy
AF Harper, SS Köcher, K Reuter, C Scheurer
12024
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
12024
Tracking Li atoms in real-time with ultra-fast NMR simulations
AF Harper, T Huss, S Koecher, C Scheurer
Faraday Discussions, 2024
12024
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
12023
Ab Initio Prediction of Metal Phosphide Anode Materials for Lithium and Beyond Lithium Batteries
AF Harper
12019
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
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