Showing 1–10 of 10 results
/ Date/ Name
Sep 1, 2017X-ray absorption of liquid water by advanced ab initio methodsSep 27, 2018Electron-hole theory of the effect of quantum nuclei on the x-ray absorption spectra of liquid waterSep 29, 2017Ab initio theory and modeling of waterJun 23, 2025Doping-induced Polyamorphic Transitions in Fluorite OxidesSep 15, 2020Importance of Nuclear Quantum Effects on the Hydration of Chloride IonDec 25, 2021Phonons in magic-angle twisted bilayer grapheneJan 26, 2018Structural, Electronic, and Dynamical Properties of Liquid Water by ab initio Molecular Dynamics based on SCAN Functional within the Canonical EnsembleNov 3, 2015SCAN: An Efficient Density Functional Yielding Accurate Structures and Energies of Diversely-Bonded MaterialsOct 27, 2024Atomistic Insights into the Chain-Length-Dependent Antifreeze Activity of OligoprolinesSep 10, 2025Adsorption Barrier Limits the Ice Inhibition Activity of Glycan-Rich Antifreeze Glycoproteins