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Physics-Inspired Equivariant Descriptors of Nonbonded Interactions
Physics-Inspired Equivariant Descriptors of Nonbonded Interactions
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Physics-Inspired Equivariant Descriptors of Nonbonded Interactions

Huguenin-Dumittan, Kevin K. ; Loche, Philip ; Haoran, Ni ; Ceriotti, Michele

The journal of physical chemistry letters, 2023-11, Vol.14 (43), p.9612-9618 [Periódico revisado por pares]

American Chemical Society

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2
Predicting Voltammetry Using Physics-Informed Neural Networks
Predicting Voltammetry Using Physics-Informed Neural Networks
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Predicting Voltammetry Using Physics-Informed Neural Networks

Chen, Haotian ; Kätelhön, Enno ; Compton, Richard G

The journal of physical chemistry letters, 2022-01, Vol.13 (2), p.536-543 [Periódico revisado por pares]

United States: American Chemical Society

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3
Physics-Guided Descriptors for Prediction of Structural Polymorphs
Physics-Guided Descriptors for Prediction of Structural Polymorphs
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Physics-Guided Descriptors for Prediction of Structural Polymorphs

Grosso, Bastien F. ; Spaldin, Nicola A. ; Tehrani, Aria Mansouri

The journal of physical chemistry letters, 2022-08, Vol.13 (31), p.7342-7349 [Periódico revisado por pares]

American Chemical Society

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4
Removing 65 Years of Approximation in Rotating Ring Disk Electrode Theory with Physics-Informed Neural Networks
Removing 65 Years of Approximation in Rotating Ring Disk Electrode Theory with Physics-Informed Neural Networks
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Removing 65 Years of Approximation in Rotating Ring Disk Electrode Theory with Physics-Informed Neural Networks

Chen, Haotian ; Smetana, Bedřich ; Novák, Vlastimil ; Zhang, Yuanmin ; Sokolov, Stanislav V. ; Kätelhön, Enno ; Luo, Zhiyao ; Zhu, Mingcheng ; Compton, Richard G.

The journal of physical chemistry letters, 2024-06, Vol.15 (24), p.6315-6324 [Periódico revisado por pares]

American Chemical Society

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5
Static Disorder in Excitation Energies of the Fenna–Matthews–Olson Protein: Structure-Based Theory Meets Experiment
Static Disorder in Excitation Energies of the Fenna–Matthews–Olson Protein: Structure-Based Theory Meets Experiment
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Static Disorder in Excitation Energies of the Fenna–Matthews–Olson Protein: Structure-Based Theory Meets Experiment

Chaillet, Marten L ; Lengauer, Florian ; Adolphs, Julian ; Müh, Frank ; Fokas, Alexander S ; Cole, Daniel J ; Chin, Alex W ; Renger, Thomas

The journal of physical chemistry letters, 2020-12, Vol.11 (24), p.10306-10314 [Periódico revisado por pares]

United States: American Chemical Society

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6
Machine Learning Predictions of Molecular Properties: Accurate Many-Body Potentials and Nonlocality in Chemical Space
Machine Learning Predictions of Molecular Properties: Accurate Many-Body Potentials and Nonlocality in Chemical Space
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Machine Learning Predictions of Molecular Properties: Accurate Many-Body Potentials and Nonlocality in Chemical Space

Hansen, Katja ; Biegler, Franziska ; Ramakrishnan, Raghunathan ; Pronobis, Wiktor ; von Lilienfeld, O. Anatole ; Müller, Klaus-Robert ; Tkatchenko, Alexandre

The journal of physical chemistry letters, 2015-06, Vol.6 (12), p.2326-2331 [Periódico revisado por pares]

United States: American Chemical Society

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7
Quantification of Exciton Fine Structure Splitting in a Two-Dimensional Perovskite Compound
Quantification of Exciton Fine Structure Splitting in a Two-Dimensional Perovskite Compound
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Quantification of Exciton Fine Structure Splitting in a Two-Dimensional Perovskite Compound

Posmyk, Katarzyna ; Zawadzka, Natalia ; Dyksik, Mateusz ; Surrente, Alessandro ; Maude, Duncan K. ; Kazimierczuk, Tomasz ; Babiński, Adam ; Molas, Maciej R. ; Paritmongkol, Watcharaphol ; Mączka, Mirosław ; Tisdale, William A. ; Płochocka, Paulina ; Baranowski, Michał

The journal of physical chemistry letters, 2022-05, Vol.13 (20), p.4463-4469 [Periódico revisado por pares]

United States: American Chemical Society

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8
Relaxation Dynamics in Photoexcited Chiral Molecules Studied by Time-Resolved Photoelectron Circular Dichroism: Toward Chiral Femtochemistry
Relaxation Dynamics in Photoexcited Chiral Molecules Studied by Time-Resolved Photoelectron Circular Dichroism: Toward Chiral Femtochemistry
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Relaxation Dynamics in Photoexcited Chiral Molecules Studied by Time-Resolved Photoelectron Circular Dichroism: Toward Chiral Femtochemistry

Comby, Antoine ; Beaulieu, Samuel ; Boggio-Pasqua, Martial ; Descamps, Dominique ; Légaré, Francois ; Nahon, Laurent ; Petit, Stéphane ; Pons, Bernard ; Fabre, Baptiste ; Mairesse, Yann ; Blanchet, Valérie

The journal of physical chemistry letters, 2016-11, Vol.7 (22), p.4514-4519 [Periódico revisado por pares]

United States: American Chemical Society

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9
Nature of Self-Trapped Exciton Emission in Zero-Dimensional Cs2ZrCl6 Perovskite Nanocrystals
Nature of Self-Trapped Exciton Emission in Zero-Dimensional Cs2ZrCl6 Perovskite Nanocrystals
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Nature of Self-Trapped Exciton Emission in Zero-Dimensional Cs2ZrCl6 Perovskite Nanocrystals

He, Yanmei ; Liu, Siping ; Yao, Zehan ; Zhao, Qian ; Chabera, Pavel ; Zheng, Kaibo ; Yang, Bin ; Pullerits, Tönu ; Chen, Junsheng

The journal of physical chemistry letters, 2023-08, Vol.14 (34), p.7665-7671 [Periódico revisado por pares]

American Chemical Society

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10
Slower Auger Recombination in 12-Faceted Dodecahedron CsPbBr3 Nanocrystals
Slower Auger Recombination in 12-Faceted Dodecahedron CsPbBr3 Nanocrystals
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Slower Auger Recombination in 12-Faceted Dodecahedron CsPbBr3 Nanocrystals

Ghosh, Supriya ; Pradhan, Bapi ; Lin, Weihua ; Zhang, Yiyue ; Leoncino, Luca ; Chabera, Pavel ; Zheng, Kaibo ; Solano, Eduardo ; Hofkens, Johan ; Pullerits, Tõnu

The journal of physical chemistry letters, 2023-02, Vol.14 (4), p.1066-1072 [Periódico revisado por pares]

American Chemical Society

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