Showing 1–20 of 23 results
/ Date/ Name
Jan 18, 2009Non-Koopmans Corrections in Density-functional Theory: Self-interaction RevisitedMay 3, 2023An overview of the spin dynamics of antiferromagnetic Mn$_5$Si$_3$Apr 11, 2014Projector augmented-wave and all-electron calculations across the periodic table: a comparison of structural and energetic propertiesJun 6, 2011The Shear Mode of Multi-Layer GrapheneDec 31, 2008Towards First-principles ElectrochemistryDec 30, 2012Quantum states of muons in fluoridesAug 31, 2019Evidence of large polarons in photoemission band mapping of the perovskite semiconductor CsPbBr$_3$Dec 6, 2021Complex magnetic structure and spin waves of the noncollinear antiferromagnet Mn5Si3Aug 4, 2007Wannier90: A Tool for Obtaining Maximally-Localised Wannier FunctionsJun 14, 2009Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materialsJul 2, 2013Playing quantum hide-and-seek with the muon: localizing muon stopping sitesSep 2, 2015A generalized Poisson and Poisson-Boltzmann solver for electrostatic environmentsNov 30, 1999Wannier-functions characterization of floating bonds in a-SiOct 6, 2020Li4-xGe1-xPxO4 a potential solid-state electrolyte for all-oxide microbatteriesSep 3, 2009NMR shifts for polycyclic aromatic hydrocarbons from first-principlesMar 4, 2010An ab-initio converse NMR approach for pseudopotentialsNov 30, 2022Topological magnons driven by the Dzyaloshinskii-Moriya interaction in the centrosymmetric ferromagnet Mn$_5$Ge$_3$Sep 20, 2019Extraordinary high room-temperature carrier mobility in graphene-WSe$_2$ heterostructuresSep 28, 2017Advanced capabilities for materials modelling with Quantum ESPRESSOAug 28, 2025Spin structures and phase diagrams of the spin-$\frac{5}{2}$ triangular-lattice antiferromagnet Na$_2$BaMn(PO$_4$)$_2$ under magnetic field