Angela F Harper

9PUBLICATIONS
37CO-AUTHORS
Degenerate quantum gases and atom opticsTheoretical quantum chemistryCondensed matter modelling and density functional theoryLasers and quantum electronicsElemental semiconductors
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Publications (9)

|Sep 01, 2026
Large-Scale Quantum Computing Emulation for Accurate Triplet States of Ir(III) and Pt(II) Phosphorescent Emitters.

|Apr 15, 2026
Open-shell frozen natural orbital approach for quantum eigensolvers.

Angela F Harper, Xiaobing Liu, Scott N Genin

|Sep 18, 2024
The EFG Rosetta Stone: translating between DFT calculations and solid state NMR experiments.

Javier Valenzuela Reina, Federico Civaia, Angela F Harper

|Sep 18, 2024
Tracking Li atoms in real-time with ultra-fast NMR simulations.

Angela F Harper, Tabea Huss, Simone S Köcher

|Feb 09, 2023
Modelling amorphous materials via a joint solid-state NMR and X-ray absorption spectroscopy and DFT approach: application to alumina.

Angela F Harper, Steffen P Emge, Pieter C M M Magusin

|Feb 11, 2017
An Atlas of Peroxiredoxins Created Using an Active Site Profile-Based Approach to Functionally Relevant Clustering of Proteins.

Angela F Harper, Janelle B Leuthaeuser, Patricia C Babbitt

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Frequent Collaborators

5 joint publications

Simone S Köcher

3 joint publications

Martin Dracinsky

3 joint publications

Colan E Hughes

3 joint publications

Kenneth D M Harris