Showing 1–18 of 18 results
/ Date/ Name
Apr 4, 2017Iron Partitioning between Ferropericlase and Bridgmanite in the Earth's Lower MantleOct 11, 2018Factors controlling oxygen interstitial diffusion in the Ruddlesden-Popper oxide La2-xSrxNiO4+deltaJun 19, 2017Ab-initio modeling of electrolyte molecule Ethylene Carbonate decomposition reaction on Li(Ni,Mn,Co)O2 cathode surfaceJul 10, 2016Origin of Fe3+ in Fe-containing, Al-free Mantle Silicate PerovskiteApr 4, 2017Nanoscale Voltage Enhancement at Cathode Interfaces in Li-ion BatteriesJun 20, 2025Electrochemistry-Enhanced Dynamic Paths Sampling Unveiling Nuclear Quantum Effects in ElectrocatalysisSep 3, 2023A Spin-dependent Machine Learning Framework for Transition Metal Oxide Battery Cathode MaterialsSep 29, 2025Interstellar Dust-Catalyzed Molecular Hydrogen Formation Enabled by Nuclear Quantum EffectsApr 17, 2025Observing Nucleation and Crystallization of Rocksalt LiF from Molten State through Molecular Dynamics Simulations with Refined Machine-Learned Force FieldOct 19, 2025Automatic Refinement of Force Fields Based on Phase DiagramsJan 15, 2025ABACUS: An Electronic Structure Analysis Package for the AI EraNov 12, 2025Adsorption of volatiles on dust grains in protoplanetary disksFeb 14, 2026fix pimd/langevin: An Efficient Implementation of Path Integral Molecular Dynamics in LAMMPSJul 7, 2016Lithium transport through Lithium-ion battery cathode coatingsJul 17, 2024A Machine-Learning Accelerated Grand Canonical Sampling Framework for Nuclear Quantum Effects in Constant Potential ElectrochemistryDec 17, 2024Observing Li Nucleation at Li Metal-Solid Electrolyte Interface in All-Solid-State BatteriesSep 14, 2025Consistent Modeling of Non-equilibrium Dust Sublimation and the Interactions with Dust Evolution in the Inner Regions of Protoplanetary DisksJun 20, 2024Observation of dendrite formation at Li metal-electrolyte interface: A machine-learning enhanced constant potential framework