Articles with public access mandates - Daniel BergerLearn more
Not available anywhere: 1
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
Mandates: German Research Foundation, European Commission
Available somewhere: 9
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), 2014
Mandates: UK Engineering and Physical Sciences Research Council
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
Mandates: German Research Foundation, European Commission
First-principles embedded-cluster calculations of the neutral and charged oxygen vacancy at the rutile (110) surface
D Berger, H Oberhofer, K Reuter
Physical Review B 92 (7), 075308, 2015
Mandates: Leibniz Association
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
Mandates: German Research Foundation, Department of Science & Technology, India
Line defects in graphene: How doping affects the electronic and mechanical properties
D Berger, C Ratsch
Physical Review B 93 (23), 235441, 2016
Mandates: US National Science Foundation
Catalytic flow with a coupled finite difference—Lattice Boltzmann scheme
N Kulyk, D Berger, AS Smith, J Harting
Computer physics communications 256, 107443, 2020
Mandates: German Research Foundation, Federal Ministry of Education and Research, Germany
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
Mandates: German Research Foundation
Structural characterization of an ionic liquid in bulk and in nano-confined environment using data from MD simulations
N Vucemilovic-Alagic, RD Banhatti, R Stepic, CR Wick, D Berger, ...
Data in Brief 28, 104794, 2020
Mandates: German Research Foundation
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
Mandates: German Research Foundation
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