Large-Scale Quantum Computing Emulation for Accurate Triplet States of Ir(III) and Pt(II) Phosphorescent Emitters
Scott N. Genin, Ohyun Kwon, S. M. Hosseini Jenab, Seon‐Jeong Lim et autres
0 citationsJournal of the American Chemical Society
Angela F. Harper
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43Publications signalées
404Citations signalées
1Affiliations récentes
Institutions déclarées
Domaines associés
Advanced NMR Techniques and ApplicationsMachine Learning in Materials ScienceX-ray Diffraction in CrystallographyAdvancements in Battery MaterialsInorganic Chemistry and Materials
Publications récentes
Performance metrics for tensorial learning: prediction of Li4Ti5O12 nuclear magnetic resonance observables at experimental accuracy
Angela F. Harper, S. Kocher, Karsten Reuter, Christoph Scheurer
0 citationsJournal of Materials Chemistry A
Understanding dynamics and mechanisms: general discussion
Sharon E. Ashbrook, Jan Blahut, Frédéric Blanc, Lee Brammer et autres
1 citationFaraday Discussions
Big data and simulations in NMR crystallography: general discussion
Sharon E. Ashbrook, Gregory J. O. Beran, Jan Blahut, Frédéric Blanc et autres
1 citationFaraday Discussions
Generating models that describe complex disorder: general discussion
Sharon E. Ashbrook, Frédéric Blanc, Steven P. Brown, Thibault Charpentier et autres
1 citationFaraday Discussions
Structure prediction of stable sodium germanides at 0 and 10 GPa
James P. Darby, Angela F. Harper, J. Nelson, Andrew J. Morris
5 citationsPhysical Review Materials
The EFG Rosetta Stone: translating between DFT calculations and solid state NMR experiments
Javier Valenzuela Reina, Federico Civaia, Angela F. Harper, Christoph Scheurer et autres
8 citationsFaraday Discussions
Tracking Li atoms in real-time with ultra-fast NMR simulations
Angela F. Harper, Tabea Huss, S. Kocher, Christoph Scheurer
8 citationsFaraday Discussions
Performance metrics for tensorial learning: prediction of Li4Ti5O12 nuclear magnetic resonance observables at experimental accuracy
Angela F. Harper, S. Kocher, Karsten Reuter, Christoph Scheurer
4 citationsChemRxiv
Tracking Li atoms in real-time with ultra-fast NMR simulations
Angela F. Harper, Tabea Huss, S. Kocher, Christoph Scheurer
3 citationsChemRxiv
Vibrational and thermal properties of amorphous alumina from first principles
Angela F. Harper, Kamil Iwanowski, William C. Witt, M. C. Payne et autres
22 citationsPhysical Review Materials
Structure prediction of stable sodium germanides at 0 and 10 GPa
James P. Darby, Angela F. Harper, J. Nelson, Andrew J. Morris
0 citationsarXiv (Cornell University)
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