Harald Oberhofer

Harald Oberhofer

Technische Universität München - Munich / Germany
Natural Sciences / Physics
AD Scientific Index ID: 1781474
Technical University of Munich
person_outline Harald Oberhofer's MOST POPULAR ARTICLES
1-) Report on the sixth blind test of organic crystal structure prediction methodsAM Reilly, RI Cooper, CS Adjiman, S Bhattacharya, AD Boese, ...Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 20164682016
2-) Charge transport in molecular materials: An assessment of computational methodsH Oberhofer, K Reuter, J BlumbergerChemical reviews 117 (15), 10319-10357, 20173022017
3-) Electronic couplings for molecular charge transfer: Benchmarking CDFT, FODFT, and FODFTB against high-level ab initio calculationsA Kubas, F Hoffmann, A Heck, H Oberhofer, M Elstner, J BlumbergerThe Journal of chemical physics 140 (10), 104105, 20141922014
4-) Biased sampling of nonequilibrium trajectories: Can fast switching simulations outperform conventional free energy calculation methods?H Oberhofer, C Dellago, PL GeisslerThe Journal of Physical Chemistry B 109 (14), 6902-6915, 20052102005
5-) Chemical activity of thin oxide layers: strong interactions with the support yield a new thin-film phase of ZnO.V Schott, H Oberhofer, A Birkner, M Xu, Y Wang, M Muhler, K Reuter, ...Angewandte Chemie International Edition 52 (45), 20132022013