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Physical Review Letters|April 26, 2018
Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material PropertiesTian Xie, Jeffrey C GrossmanThe Journal of Chemical Physics|November 10, 2018
Hierarchical visualization of materials space with graph convolutional neural networksTian Xie, Jeffrey C GrossmanACS Central Science|August 31, 2018
Machine Learning Enabled Computational Screening of Inorganic Solid Electrolytes for Suppression of Dendrite Formation in Lithium Metal AnodesZeeshan Ahmad, Tian Xie, Chinmay Maheshwari, et al.Nature Communications|June 19, 2019
Graph dynamical networks for unsupervised learning of atomic scale dynamics in materialsTian Xie, Arthur France-Lanord, Yanming Wang, et al.JACS Au|October 3, 2022
Calibrating DFT Formation Enthalpy Calculations by Multifidelity Machine LearningSheng Gong, Shuo Wang, Tian Xie, et al.Science Advances|November 10, 2023
Examining graph neural networks for crystal structures: Limitations and opportunities for capturing periodicitySheng Gong, Keqiang Yan, Tian Xie, et al.Nano Letters|August 14, 2008
Prediction of ultra-high aspect ratio nanowires from self-assemblyZhigang Wu, Jeffrey C GrossmanAdvanced Science (Weinheim, Baden-Wurttemberg, Germany)|August 31, 2017
Graphene Nanoribbon Based Thermoelectrics: Controllable Self- Doping and Long-Range DisorderHuashan Li, Jeffrey C GrossmanThe Journal of Physical Chemistry Letters|August 21, 2015
Photoswitchable Molecular Rings for Solar-Thermal Energy StorageE Durgun, Jeffrey C GrossmanACS Applied Materials & Interfaces|September 10, 2016
Conformal Electroplating of Azobenzene-Based Solar Thermal Fuels onto Large-Area and Fiber GeometriesDavid Zhitomirsky, Jeffrey C GrossmanPageof 105