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The Journal of Chemical Physics|January 18, 2024
Self-interaction corrected SCAN functional for molecules and solids in the numeric atom-center orbital frameworkSheng Bi, Christian Carbogno, Igor Ying Zhang, et al.Physical Review Letters|May 13, 2017
Ab Initio Green-Kubo Approach for the Thermal Conductivity of SolidsChristian Carbogno, Rampi Ramprasad, Matthias SchefflerPhysical Review Letters|June 24, 2023
Anharmonicity in Thermal Insulators: An Analysis from First PrinciplesFlorian Knoop, Thomas A R Purcell, Matthias Scheffler, et al.The Journal of Chemical Physics|October 17, 2015
Insight into organic reactions from the direct random phase approximation and its correctionsAdrienn Ruzsinszky, Igor Ying Zhang, Matthias SchefflerPhysical Review Letters|June 24, 2017
Formation of Vacancies in Si- and Ge-based Clathrates: Role of Electron Localization and Symmetry BreakingAmrita Bhattacharya, Christian Carbogno, Bodo Böhme, et al.Journal of Chemical Theory and Computation|July 31, 2019
Massive-Parallel Implementation of the Resolution-of-Identity Coupled-Cluster Approaches in the Numeric Atom-Centered Orbital Framework for Molecular SystemsTonghao Shen, Zhenyu Zhu, Igor Ying Zhang, et al.Physical Review Letters|October 8, 2016
Towards Efficient Orbital-Dependent Density Functionals for Weak and Strong CorrelationIgor Ying Zhang, Patrick Rinke, John P Perdew, et al.The Journal of Chemical Physics|December 15, 2023
Improving XYG3-type doubly hybrid approximation using self-interaction corrected SCAN density and orbitals via the PZ-SIC framework: The xDH@SCAN(SIC) approachSheng Bi, Shirong Wang, Igor Ying Zhang, et al.The Journal of Chemical Physics|July 11, 2024
Efficient all-electron hybrid density functionals for atomistic simulations beyond 10 000 atomsSebastian Kokott, Florian Merz, Yi Yao, et al.Angewandte Chemie (International Ed. in English)|March 27, 2018
Local Atomic Arrangements and Band Structure of Boron CarbideKarsten Rasim, Reiner Ramlau, Andreas Leithe-Jasper, et al.Pageof 54