Karsten Reuter

Ab initio molecular simulations with numeric atom-centered orbitals

Volker Blüm, Ralf Gehrke, Felix Hanke et al. · Computer Physics Communications · 2009 · 2.8K citations · Full text

Engineering, Computational Chemistry, Chemistry +16

Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 and<i>GW</i>with numeric atom-centered orbital basis functions

Xinguo Ren, Patrick Rinke, Volker Blüm et al. · New Journal of Physics · 2012 · 707 citations · Full text

Report on the sixth blind test of organic crystal structure prediction methods

Anthony M. Reilly, Richard I. Cooper, Claire S. Adjiman et al. · Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 2016 · 593 citations · Full text

Crystal Structure, Engineering, Organic Chemistry +16

Azobenzene at coinage metal surfaces: Role of dispersive van der Waals interactions

Erik R. McNellis, Jörg Meyer, Karsten Reuter · Physical Review B · 2009 · 536 citations · Full text

Computed Adsorption Geometry, Engineering, Computational Chemistry +18

Interfacial Challenges in Solid-State Li Ion Batteries

A. C. Luntz, Johannes Voss, Karsten Reuter · The Journal of Physical Chemistry Letters · 2015 · 448 citations

Engineering, Altmetric Attention Score, Battery Technology +17