Showing 1–16 of 16 results
/ Date/ Name
Sep 25, 2020Isotope effects in x-ray absorption spectra of liquid waterOct 16, 2023Interfaces Govern Structure of Angstrom-scale Confined WaterDec 19, 2019Probe Ferroelectricity by X-ray Absorption Spectroscopy in Molecular CrystalApr 29, 2021Modeling liquid water by climbing up Jacob's ladder in density functional theory facilitated by using deep neural network potentialsFeb 9, 2026NMRPeak: a ready-to-use intelligent system for molecular structure elucidation enabled by synergistic cross-modal learningJan 24, 2022Many-Body Effects in the X-ray Absorption Spectra of Liquid WaterAug 28, 2024Towards a Unified Benchmark and Framework for Deep Learning-Based Prediction of Nuclear Magnetic Resonance Chemical ShiftsJan 13, 2025Decoding the Competing Effects of Dynamic Solvation Structures on Nuclear Magnetic Resonance Chemical Shifts of Battery Electrolytes via Machine LearningJul 17, 2023Exploring the Impact of Ions on Oxygen K-Edge X-ray Absorption Spectroscopy in NaCl Solution using the GW-Bethe-Salpeter-Equation ApproachApr 2, 2022Convert widespread paraelectric perovskite to ferroelectricsJun 28, 2021Nuclear quantum effects on the quasiparticle properties of the chloride anion aqueous solution within the GW approximationJul 22, 2024Revealing the molecular structures of a-Al2O3(0001)-water interface by machine learning based computational vibrational spectroscopyNov 24, 2024Optical absorption spectroscopy probes water wire and its ordering in a hydrogen-bond networkJul 1, 2025Machine Learning Accelerated Computational Surface-Specific Vibrational Spectroscopy Reveals Oxidation Level of Graphene in Contact with WaterMar 29, 2026Solving the inverse problem of X-ray absorption spectroscopy via physics-informed deep learningAug 8, 2025Correlation between Exciton Dynamics and Spin Structure in van der Waals Antiferromagnet NiPS3