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Physical Review Letters|July 13, 2004
Hallmark of perfect grapheneElizabeth J Duplock, Matthias Scheffler, Philip J D LindanPhysical Review Letters|June 13, 2009
Two-step mechanism for low-temperature oxidation of vacancies in grapheneJohan M Carlsson, Felix Hanke, Suljo Linic, 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|September 26, 2012
Accurate and efficient method for many-body van der Waals interactionsAlexandre Tkatchenko, Robert A DiStasio, Roberto Car, et al.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|July 1, 2022
Ab Initio Approach for Thermodynamic Surface Phases with Full Consideration of Anharmonic Effects: The Example of Hydrogen at Si(100)Yuanyuan Zhou, Chunye Zhu, Matthias Scheffler, et al.ACS Nano|April 24, 2015
Integer versus Fractional Charge Transfer at Metal(/Insulator)/Organic Interfaces: Cu(/NaCl)/TCNEOliver T Hofmann, Patrick Rinke, Matthias Scheffler, et al.Physical Review Letters|March 14, 2003
Adsorption of Xe atoms on metal surfaces: new insights from first-principles calculationsJuarez L F Da Silva, Catherine Stampfl, Matthias SchefflerThe Journal of Chemical Physics|September 18, 2023
Recent advances in the SISSO method and their implementation in the SISSO++ codeThomas A R Purcell, Matthias Scheffler, Luca M GhiringhelliPhysical Review Letters|October 15, 2008
Influence of the core-valence interaction and of the pseudopotential approximation on the electron self-energy in semiconductorsRicardo Gómez-Abal, Xinzheng Li, Matthias Scheffler, et al.Pageof 20