Daniel Berger
Daniel Berger
Helmholtz-Institut Erlangen-Nuernberg
Verified email at ch.tum.de
Title
Cited by
Cited by
Year
Formation mechanism of the first carbon–carbon bond and the first olefin in the methanol conversion into hydrocarbons
Y Liu, S Müller, D Berger, J Jelic, K Reuter, M Tonigold, ...
Angewandte Chemie 128 (19), 5817-5820, 2016
982016
Surface Adsorption Energetics Studied with “Gold Standard” Wave-Function-Based Ab Initio Methods: Small-Molecule Binding to TiO2(110)
A Kubas, D Berger, H Oberhofer, D Maganas, K Reuter, F Neese
The Journal of Physical Chemistry Letters 7 (20), 4207-4212, 2016
572016
Embedded-cluster calculations in a numeric atomic orbital density-functional theory framework
D Berger, AJ Logsdail, H Oberhofer, MR Farrow, CRA Catlow, ...
The Journal of chemical physics 141 (2), 024105, 2014
462014
First-principles embedded-cluster calculations of the neutral and charged oxygen vacancy at the rutile TiO 2 (110) surface
D Berger, H Oberhofer, K Reuter
Physical Review B 92 (7), 075308, 2015
222015
Line defects in graphene: How doping affects the electronic and mechanical properties
D Berger, C Ratsch
Physical Review B 93 (23), 235441, 2016
202016
Theoretical evidence for unexpected O-rich phases at corners of MgO surfaces
S Bhattacharya, D Berger, K Reuter, LM Ghiringhelli, SV Levchenko
Physical Review Materials 1 (7), 071601, 2017
192017
Mechanism of the Water–Gas Shift Reaction Catalyzed by Efficient Ruthenium‐Based Catalysts: A Computational and Experimental Study
R Stepić, CR Wick, V Strobel, D Berger, N Vučemilović‐Alagić, ...
Angewandte Chemie International Edition 58 (3), 741-745, 2019
182019
Insights from molecular dynamics simulations on structural organization and diffusive dynamics of an ionic liquid at solid and vacuum interfaces
N Vučemilović-Alagić, RD Banhatti, R Stepić, CR Wick, D Berger, ...
Journal of colloid and interface science 553, 350-363, 2019
62019
A study of color centers in MgO using a hierarchical model
D Berger, PM Dinh, PG Reinhard, E Suraud
The European Physical Journal D 66 (6), 164, 2012
42012
Corrigendum: Formation Mechanism of the First Carbon–Carbon Bond and the First Olefin in the Methanol Conversion into Hydrocarbons
Y Liu, S Müller, D Berger, J Jelic, K Reuter, M Tonigold, ...
Angewandte Chemie International Edition 56 (26), 7342-7342, 2017
22017
Solid State QM/MM Embedding for a First-Principles Description of Catalytic Processes
D Berger
Technische Universität München, 2015
12015
Catalytic flow with a coupled finite difference—Lattice Boltzmann scheme
N Kulyk, D Berger, AS Smith, J Harting
Computer Physics Communications 256, 107443, 2020
2020
Structural characterization of an ionic liquid in bulk and in nano-confined environment using data from MD simulations
N Vučemilović-Alagić, RD Banhatti, R Stepić, CR Wick, D Berger, ...
Data in brief 28, 104794, 2020
2020
Berichtigung: Formation Mechanism of the First Carbon–Carbon Bond and the First Olefin in the Methanol Conversion into Hydrocarbons
Y Liu, S Müller, D Berger, J Jelic, K Reuter, M Tonigold, ...
Angewandte Chemie 129 (26), 7448-7448, 2017
2017
Continuum embedding for photo-electrochemical surface processes
M Sinstein, H Oberhofer, D Berger, V Blum, K Reuter
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016
2016
Line defects in Graphene: How doping cures the electronic and mechanical properties
D Berger, C Ratsch
APS 2016, B17. 002, 2016
2016
Theoretical evidence for unexpected O-rich phases at corners of MgO surfaces
D Berger, SV Levchenko, S Bhattacharya, K Reuter, LM Ghiringhelli, ...
APS 2015, Z26. 014, 2015
2015
Surface chemistry in a full-potential QM/MM approach: making hybrids affordable
D Berger, V Blum, K Reuter
APS 2013, M24. 013, 2013
2013
Variations on a QM/MM approach to cluster dynamics
PM Dinh, D Berger, B Faber, PG Reinhard, E Suraud
Journal of Physics: Conference Series 393 (1), 012002, 2012
2012
Color Centers in a MgO (001) Surface
D Berger
2010
The system can't perform the operation now. Try again later.
Articles 1–20