Showing 1–20 of 50 results
/ Date/ Name
Apr 14, 2020Applying the Coupled-Cluster Ansatz to Solids and Surfaces in the Thermodynamic LimitFeb 21, 2019Ab-initio calculations of carbon and boron nitride allotropes and their structural phase transitions using periodic coupled cluster theoryApr 14, 2020A comparative study using state-of-the-art electronic structure theories on solid hydrogen phases under high pressuresApr 14, 2020Coupled cluster theory in materials scienceOct 12, 2021Surface science using coupled cluster theory via local Wannier functions and in-RPA-embedding: the case of water on graphitic carbon nitrideNov 19, 2018On the physisorption of water on graphene: Sub-chemical accuracy from many-body electronic structure methodsApr 27, 2023Phaseless auxiliary field quantum Monte Carlo with projector-augmented wave method for solidsJun 20, 2023Formation energies of silicon self-interstitials using periodic coupled cluster theoryFeb 24, 2024Investigating the basis set convergence of diagrammatically decomposed coupled-cluster correlation energy contributions for the uniform electron gasSep 1, 2017Surface floating 2D bands in layered nonsymmorphic semimetals: ZrSiS and related compoundsJul 17, 2023Optimizing Distributed Tensor Contractions using Node-Aware Processor GridsJul 9, 2025Machine-Learned Force Fields for Lattice Dynamics at Coupled-Cluster Level AccuracyDec 23, 2024An accurate and efficient framework for modelling the surface chemistry of ionic materialsFeb 22, 2012Convergence of many-body wavefunction expansions using a plane wave basis: from the homogeneous electron gas to the solid stateMar 19, 2021Driven electronic bridge processes via defect states in $^{229}$Th-doped crystalsNov 11, 2021Coupled cluster theory for the ground and excited states of two dimensional quantum dotsNov 10, 2016Low rank factorization of the Coulomb integrals for periodic coupled cluster theoryJul 24, 2013Explicitly correlated plane waves: Accelerating convergence in periodic wavefunction expansionsMay 27, 2016Screened exchange corrections to the random phase approximation from many-body perturbation theoryJul 14, 2025Density Functional Theory Study of Th-doped LiCAF and LiSAF for Nuclear Clock Applications