Matthias Scheffler
Matthias Scheffler
Director of NOMAD Laboratory at FHI of Max-Planck-Gesellschaft and IRIS-Adlershof of HU Berlin
E-mailová adresa ověřena na: - Domovská stránka
Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density<? format?> and Free-Atom Reference Data
A Tkatchenko, M Scheffler
Physical review letters 102 (7), 073005, 2009
Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al (111)
J Neugebauer, M Scheffler
Physical Review B 46 (24), 16067, 1992
Ab initio molecular simulations with numeric atom-centered orbitals
V Blum, R Gehrke, F Hanke, P Havu, V Havu, X Ren, K Reuter, ...
Computer Physics Communications 180 (11), 2175-2196, 2009
Composition, structure, and stability of RuO 2 (110) as a function of oxygen pressure
K Reuter, M Scheffler
Physical Review B 65 (3), 035406, 2001
Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory
M Fuchs, M Scheffler
Computer Physics Communications 119 (1), 67-98, 1999
Accurate and efficient method for many-body van der Waals interactions
A Tkatchenko, RA DiStasio Jr, R Car, M Scheffler
Physical review letters 108 (23), 236402, 2012
Reproducibility in density functional theory calculations of solids
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351 (6280), 2016
New tolerance factor to predict the stability of perovskite oxides and halides
CJ Bartel, C Sutton, BR Goldsmith, R Ouyang, CB Musgrave, ...
Science advances 5 (2), eaav0693, 2019
Density-functional theory calculations for poly-atomic systems: electronic structure, static and elastic properties and ab initio molecular dynamics
M Bockstedte, A Kley, J Neugebauer, M Scheffler
Computer physics communications 107 (1-3), 187-222, 1997
Big data of materials science: critical role of the descriptor
LM Ghiringhelli, J Vybiral, SV Levchenko, C Draxl, M Scheffler
Physical review letters 114 (10), 105503, 2015
The Physics of Semiconductors
MJ Caldas, J Dabrowski, A Fazzio, M Scheffler
Singapore: World Scientific, 1990
The co/pt (111) puzzle
PJ Feibelman, B Hammer, JK Nørskov, F Wagner, M Scheffler, R Stumpf, ...
The Journal of Physical Chemistry B 105 (18), 4018-4025, 2001
Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 and GW with numeric atom-centered orbital basis functions
X Ren, P Rinke, V Blum, J Wieferink, A Tkatchenko, A Sanfilippo, K Reuter, ...
New Journal of Physics 14 (5), 053020, 2012
CO oxidation as a prototypical reaction for heterogeneous processes
HJ Freund, G Meijer, M Scheffler, R Schlögl, M Wolf
Angewandte Chemie International Edition 50 (43), 10064-10094, 2011
Trends of the surface relaxations, surface energies, and work functions of the 4d transition metals
M Methfessel, D Hennig, M Scheffler
Physical Review B 46 (8), 4816, 1992
Assessment and validation of machine learning methods for predicting molecular atomization energies
K Hansen, G Montavon, F Biegler, S Fazli, M Rupp, M Scheffler, ...
Journal of chemical theory and computation 9 (8), 3404-3419, 2013
Hallmark of perfect graphene
EJ Duplock, M Scheffler, PJD Lindan
Physical review letters 92 (22), 225502, 2004
Effect of the Environment on (0001) Surface Structures
XG Wang, A Chaka, M Scheffler
Physical Review Letters 84 (16), 3650, 2000
Density-Functional Theory with Screened van der Waals Interactions for the Modeling<? format?> of Hybrid Inorganic-Organic Systems
VG Ruiz, W Liu, E Zojer, M Scheffler, A Tkatchenko
Physical review letters 108 (14), 146103, 2012
The Hematite ( - ) (0001) Surface: Evidence for Domains of Distinct Chemistry
XG Wang, W Weiss, SK Shaikhutdinov, M Ritter, M Petersen, F Wagner, ...
Physical Review Letters 81 (5), 1038, 1998
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Články 1–20