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Yifan Wu
Yifan Wu
Computational Chemistry, University of Southern California
Verifierad e-postadress på usc.edu
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Atmosphere-mediated superhydrophobicity of rationally designed micro/nanostructured surfaces
X Yan, Z Huang, S Sett, J Oh, H Cha, L Li, L Feng, Y Wu, C Zhao, ...
Acs Nano 13 (4), 4160-4173, 2019
2152019
Electron-volt fluctuation of defect levels in metal halide perovskites on a 100 ps time scale
B Wang, W Chu, Y Wu, D Casanova, WA Saidi, OV Prezhdo
The Journal of Physical Chemistry Letters 13 (25), 5946-5952, 2022
362022
Common Defects Accelerate Charge Carrier Recombination in CsSnI3 without Creating Mid-Gap States
Y Wu, W Chu, AS Vasenko, OV Prezhdo
The Journal of Physical Chemistry Letters 12 (36), 8699-8705, 2021
362021
Grain boundary sliding and distortion on a nanosecond timescale induce trap states in CsPbBr 3: ab initio investigation with machine learning force field
D Liu, Y Wu, AS Vasenko, OV Prezhdo
Nanoscale 15 (1), 285-293, 2023
342023
Fluctuations at Metal Halide Perovskite Grain Boundaries Create Transient Trap States: Machine Learning Assisted Ab Initio Analysis
Y Wu, D Liu, W Chu, B Wang, AS Vasenko, OV Prezhdo
ACS Applied Materials & Interfaces 14 (50), 55753-55761, 2022
332022
Halide vacancies create no charge traps on lead halide perovskite surfaces but can generate deep traps in the bulk
J Ran, B Wang, Y Wu, D Liu, C Mora Perez, AS Vasenko, OV Prezhdo
The Journal of Physical Chemistry Letters 14 (26), 6028-6036, 2023
262023
Increasing efficiency of nonadiabatic molecular dynamics by hamiltonian interpolation with kernel ridge regression
Y Wu, N Prezhdo, W Chu
The Journal of Physical Chemistry A 125 (41), 9191-9200, 2021
142021
Compression Eliminates Charge Traps by Stabilizing Perovskite Grain Boundary Structures: An Ab Initio Analysis with Machine Learning Force Field
D Liu, Y Wu, MR Samatov, AS Vasenko, EV Chulkov, OV Prezhdo
Chemistry of Materials 36 (6), 2898-2906, 2024
122024
Breaking the size limitation of nonadiabatic molecular dynamics in condensed matter systems with local descriptor machine learning
D Liu, B Wang, Y Wu, AS Vasenko, OV Prezhdo
Proceedings of the National Academy of Sciences 121 (36), e2403497121, 2024
112024
Excitonic Quantum Coherence in Light Emission from CsPbBr3 Metal-Halide Perovskite Nanocrystals
D Strandell, C Mora Perez, Y Wu, OV Prezhdo, P Kambhampati
Nano Letters 24 (1), 61-66, 2023
92023
Breaking the Condon approximation for light emission from metal halide perovskite nanocrystals
D Strandell, Y Wu, C Mora-Perez, O Prezhdo, P Kambhampati
The Journal of Physical Chemistry Letters 14 (50), 11281-11285, 2023
82023
Interpolating Nonadiabatic Molecular Dynamics Hamiltonian with Bidirectional Long Short-Term Memory Networks
B Wang, L Winkler, Y Wu, KR Müller, HE Sauceda, OV Prezhdo
The Journal of Physical Chemistry Letters 14 (31), 7092-7099, 2023
82023
Photocatalytic activity of dual defect modified graphitic carbon nitride is robust to tautomerism: machine learning assisted ab initio quantum dynamics
S Agrawal, B Wang, Y Wu, D Casanova, OV Prezhdo
Nanoscale 16 (18), 8986-8995, 2024
72024
Efficient Modeling of Quantum Dynamics of Charge Carriers in Materials Using Short Nonequilibrium Molecular Dynamics
B Wang, Y Wu, D Liu, AS Vasenko, D Casanova, OV Prezhdo
The Journal of Physical Chemistry Letters 14 (37), 8289-8295, 2023
72023
Origin of the Improved Photoelectrochemical and Photocatalytic Activity in a ZnO-TiO2 Nanohybrid Revealed by Experimental and Density Functional Theory Studies
A Das, D Liu, Y Wu, BA Abzakh, EA Kazakova, AS Vasenko, OV Prezhdo
The Journal of Physical Chemistry Letters 15 (29), 7524-7532, 2024
62024
MRFTrans: Multimodal Representation Fusion Transformer for monocular 3D semantic scene completion
R Xu, J Zhang, J Sun, C Wang, Y Wu, S Xu, W Meng, X Zhang
Information Fusion, 102493, 2024
62024
Point defects at grain boundaries can create structural instabilities and persistent deep traps in metal halide perovskites
Y Wu, D Liu, W Chu, B Wang, AS Vasenko, OV Prezhdo
Nanoscale 17 (4), 2224-2234, 2025
12025
Identifying Rare Events in Quantum Molecular Dynamics of Nanomaterials with Outlier Detection Indices
B Wang, D Liu, Y Wu, AS Vasenko, OV Prezhdo
The Journal of Physical Chemistry Letters 15 (41), 10384-10391, 2024
12024
Enhancement of hole capture and water dissociation on rutile TiO 2 (110) by intermolecular hydrogen bonding: time-domain ab initio study
Y Zhang, C Cheng, Y Wu, OV Prezhdo, R Long
Journal of Materials Chemistry A 12 (38), 26178-26187, 2024
12024
Atomistic Origin of Microsecond Carrier Lifetimes at Perovskite Grain Boundaries: Machine Learning-Assisted Nonadiabatic Molecular Dynamics
Y Wu, W Chu, B Wang, OV Prezhdo
Journal of the American Chemical Society, 2025
2025
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Artiklar 1–20