Vikas Negi, Olga Wodo, Jacobus J. van Franeker, René A. J. Janssen, Peter A. Bobbert, Simulating Phase Separation during Spin Coating of a Polymer-Fullerene Blend: A Joint Computational and Experimental Investigation. ACS Appl. Energy Mater., 2018, Feb. 2. Link: https://pubs.acs.org/doi/abs/10.1021/acsaem.7b00189

Gernot Füchsel, Kun Cao, Süleyman Er, Egidius W. F. Smeets, Aart W. Kleyn, Ludo B. F. Juurlink and Geert-Jan Kroes, Anomalous Dependence of the Reactivity on the Presence of Steps: Dissociation of D2 on Cu(211). J. Phys. Chem. Lett., 2018, 9 (1), pp 170–175. Link: doi.org/10.1021/acs.jpclett.7b03097

Yibin Bu, Süleyman Er, Hans Niemantsverdriet, Hans Fredriksson, Preferential oxidation of CO in H2 on Cu and Cu/CeOx catalysts studied by in situ UV–Vis and mass spectrometry and DFT. J. Phys. Chem. Lett., 2018, 9 (1), pp 170–175. Link: doi.org/10.1016/j.jcat.2017.11.014

Shuxia Tao, Xi Cao, Peter A. Bobbert, Accurate and efficient band gap predictions of metal halide perovskites using the DFT-1/2 method: GW accuracy with DFT expense. Sci. Rep. 7: 14386 (2017). Link: doi.org/10.1038/s41598-017-14435-4

Shravan Hanasoge, Umang Agarwal, Kunj Tandon, and J. M. Vianney A. Koelman. Renormalization group theory outperforms other approaches in statistical comparison between upscaling techniques for porous media. Phys. Rev. E 96, 033313 (2017). Link: doi.org/10.1103/PhysRevE.96.033313

About CCER

The Center for Computational Energy Research  aims to explore pathways to future energy systems. This is done via computational simulations that complement experimental energy research. The center was founded in 2017 as the result of a joint initiative between the Department of Applied Physics of the Eindhoven University of Technology and NWO Institute DIFFER.

Center for Computational Energy Research
TU/e Science Park
De Zaale 20
5612 AJ Eindhoven
The Netherlands

P.O. Box 6336
5600 HH Eindhoven
The Netherlands

+31 40 3334 999