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The Journal of Physical Chemistry Letters|October 11, 2024
Strong Dependence of Point Defect Properties in Metal Halide Perovskites on Description of van der Waals InteractionLinjie Deng, Jingyi Ran, Bipeng Wang, et al.The Journal of Physical Chemistry Letters|August 2, 2023
Interpolating Nonadiabatic Molecular Dynamics Hamiltonian with Bidirectional Long Short-Term Memory NetworksBipeng Wang, Ludwig Winkler, Yifan Wu, et al.Journal of the American Chemical Society|September 9, 2024
Counterion Loss from Charged Surface-Bound Complexes Drives the Formation of Loosely Packed MonolayersChristina D M Trang, Carlos Mora Perez, Jingyi Ran, et al.Physical Review Letters|May 21, 2013
Quantum Zeno effect rationalizes the phonon bottleneck in semiconductor quantum dotsSvetlana V Kilina, Amanda J Neukirch, Bradley F Habenicht, et al.The Journal of Physical Chemistry. A|March 13, 2009
Photoinduced conductivity of a porphyrin-gold composite nanowireDmitri S Kilin, Kiril L Tsemekhman, Svetlana V Kilina, et al.Nano Letters|September 11, 2025
Atomistic Mechanism of Defect Self-Passivation in Metal Halide PerovskitesPingzhi Zhang, Elizabeth Stippell, Yanhong Chen, et al.Journal of Chemical Theory and Computation|December 2, 2025
Ab Initio Nonadiabatic Molecular Dynamics in Weakly Coupled NanosystemsWei Li, Pingzhi Zhang, Deyang Kong, et al.Journal of Chemical Theory and Computation|March 9, 2016
Nonadiabatic Molecular Dynamics for Thousand Atom Systems: A Tight-Binding Approach toward PYXAIDSougata Pal, Dhara J Trivedi, Alexey V Akimov, et al.The Journal of Physical Chemistry Letters|September 29, 2025
Design of Transition Metal-Intercalated Carbon-Nitrogen-Boron Catalysts and Application to Electrocatalytic Carbon Monoxide ReductionZhou Zheng, Yuxiang Min, Dewei Zhang, et al.The Journal of Chemical Physics|February 9, 2022
Dimensionality reduction in machine learning for nonadiabatic molecular dynamics: Effectiveness of elemental sublattices in lead halide perovskitesWei Bin How, Bipeng Wang, Weibin Chu, et al.Pageof 56