Modeling disordered morphologies in organic semiconductors

Ultrastable glasses from in silico vapour deposition

(2013) Sadanand Singh et al.   NATURE MATERIALS

Design Rules for Charge-Transport Efficient Host Materials for Phosphorescent Organic Light-Emitting Diodes

(2012) Falk May et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Molecular orientation in small-molecule organic light-emitting diodes

(2011) Daisuke Yokoyama   JOURNAL OF MATERIALS CHEMISTRY

Oriented phosphorescent emitters boost OLED efficiency

(2011) Michael Flämmich et al.   ORGANIC ELECTRONICS

Electroactive materials for organic electronics: preparation strategies, structural aspects and characterization techniques

(2010) Adam Pron et al.   CHEMICAL SOCIETY REVIEWS

Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool

(2009) Alexander Stukowski   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Nanoalloys:  From Theory to Applications of Alloy Clusters and Nanoparticles

(2008) Riccardo Ferrando et al.   CHEMICAL REVIEWS

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Crystal structure prediction from first principles

(2008) Scott M. Woodley et al.   NATURE MATERIALS

Simulating charge transport in tris(8-hydroxyquinoline) aluminium (Alq3)

(2008) J. J. Kwiatkowski et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Influence of Alq3/Au cathode on stability and efficiency of a layered organic solar cell in air

(2008) Paola Vivo et al.   SOLAR ENERGY MATERIALS AND SOLAR CELLS