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ACS Applied Materials & Interfaces|January 20, 2021
Molecular Simulations of the Microstructure Evolution of Solid Electrolyte Interphase during Cyclic Charging/DischargingPo-Yu Yang, Chun-Wei PaoJournal of Chemical Theory and Computation|May 4, 2023
Hybrid Machine Learning-Enabled Potential Energy Model for Atomistic Simulation of Lithium Intercalation into Graphite from Plating to OverlithiationPo-Yu Yang, Yu-Hsuan Chiang, Chun-Wei Pao, et al.Small Methods|September 5, 2025
Unveiling Origins of Mixed Quantum-Well Width Distributions in 2D Ruddlesden-Popper Perovskites via Machine Learning-Enabled Multiscale SimulationsSvetozar Najman, Po-Yu Yang, Yi-Xian Yang, et al.The Journal of Chemical Physics|August 17, 2011
Ab initio calculations of the reaction pathways for methane decomposition over the Cu (111) surfaceGrzegorz Gajewski, Chun-Wei PaoNanomaterials (Basel, Switzerland)|March 12, 2024
Comparative Study of the Orientation and Order Effects on the Thermoelectric Performance of 2D and 3D PerovskitesYi-Hsiang Wang, Cheng-Hsien Yeh, I-Ta Hsieh, et al.ACS Applied Materials & Interfaces|July 21, 2016
Multiscale Molecular Simulation of Solution Processing of SMDPPEH: PCBM Small-Molecule Organic Solar CellsCheng-Kuang Lee, Chun-Wei PaoACS Omega|August 29, 2019
Fast and Accurate Artificial Neural Network Potential Model for MAPbI3 Perovskite MaterialsHsin-An Chen, Chun-Wei PaoPhysical Review Letters|May 23, 2006
Stress and morphology evolution during island growthChun-Wei Pao, David J SrolovitzThe Journal of Physical Chemistry. B|February 14, 2015
PSII-LHCII supercomplex organizations in photosynthetic membrane by coarse-grained simulationCheng-Kuang Lee, Chun-Wei Pao, Berend SmitPhysical Review Letters|March 16, 2007
Dislocation injection, reconstruction, and atomic transport on {001} Au terracesHenny W Zandbergen, Chun-Wei Pao, David J SrolovitzPageof 6