Highlights with ‘organic electronics’

Graphical user interface for AMS2020 | live Q&A

Last but not least in the demonstration of features by SCM staff, Olivier will demonstrate the graphical user interface to our new AMS2020 release. He will give tips & tricks on using the new features in...

New in AMS2020: QM/MM, G0W0, ML Potentials | live Q&A

Fedor will demonstrate a few new features in our 2020 release: machine learning potentials, the hybrid engine for QM/MM and multi-layer calculations, G0W0, and the new ADF input structure. See also the full release notes....

Designing new dyes for smart solar windows

A new dye-sensitized solar cell (DSSC) is reported, using donor-bridge-acceptor dyes with a ‘smart’ photochromic diphenyl-naphthopyran bridge. This bridge unit converts under radiation switching from a transparent to a colored state, while it thermally reverts...

Spin-forbidden transitions of a conjugated polymer repeat unit

Explanation of TR-EPR experiments Time-resolved electron paramagnetic resonance (TR-EPR) is an important experimental probe of the dynamics of excited triplet states that are often involved in molecular and biomolecular photo-excited exciton transport processes. A surprising...

Ambipolar Organic Field-Effect Transistors – Thienoisoindigo Derivatives

A series of substituted, unsymmetrical thienoisoindigo (TIIG) analogues were prepared, crystallized, and tested in thin-film transistors. TIIG and six modifications have been studied experimentally and computationally. The different intermolecular interactions lead to different stacking motifs,...

New single-layer 2D Covalent Organic Framework discovered: TANG-COF

The discovery of ballistic charge transport in graphene ignited the quest for two-dimensional (2D) materials and they are now used in various applications, such as electronics and materials science. In particular, 2D π-conjugated covalent organic...

Improved deep-blue thermally activated delayed fluorescence emitter: TMCz-BO

Traditionally, OLEDs only achieved an internal quantum efficiency of 25% since only singlet excited states can be used to emit fluorescence. The other 75% is excited to a triplet state and recently heavy metals have...

SCM at the F19MRS in Boston

Going to the 2019 MRS fall meeting 1-5 December 2019? Check out Matti’s talk on Machine Learning potentials for next generation materials modeling -his EU project MaLeR– on 3 December, 9.45am at Hynes 210. Thomas...

SCM at IDTechEx Show

Going to the IDTechEx Show in Santa Clara, 20-21 November, to learn about the latest emerging technologies? Fedor would be delighted to discuss your challenges and see where the Amsterdam Modeling Suite could help you...

Geometry Optimization with the Optimally Tuned Range-Separated Hybrid Functional

The state-of-the-art DFT is, as it turns out, too accurate for gas-phase calculations to be relevant to materials research.  Dielectric effects can be readily accounted for within the optimally tuned range-separated hybrid (OT-RSH) functional framework...