Highlights with ‘OLEDs’

International Symposium on Flexible Organic Electronics ISFOE2022

If you are going to Nanotexnology 2022, make sure to see Thomas Soini’s talk on OLED modeling with AMS (and some results for multiscale modeling with Simbeyond). He’s presentation is at 7pm in Timber hall...

Spin Orbit Coupling in Charge Transfer States

Researchers from the University of Amsterdam investigated the effects of twisting an electron donor-acceptor molecule. The conformational dependence of the matrix element for spin–orbit coupling (SOCME) and of the electronic coupling for charge separation are...

AMS2022 Released: Easier Parametrization ReaxFF & DFTB, reaction mapping, OLED tools

The SCM team proudly announce our new AMS2022 release, with many new features and improvements. The new ParAMS parametrization toolkit, including graphical interface, will make it easier for you to develop new or improve existing...

Tackling exciton quenching to increase OLED efficiency: SEQUOIA project

To improve OLED lifetime and efficiency, researchers from the TU/e, VU, SCM, Simbeyond, and Merck join forces to reduce exciton quenching processes. The NWO-funded SEQUOIA project is led by Prof. Peter Bobbert of the TU/e...

Strategic partnership Kebotix and SCM to accelerate materials innovation

To boost our materials discovery solutions, we join forces with Kebotix, experts in secure, scalable, AI-accelerated workflows (press release). SCM and Kebotix are developing an integrated software platform to enable researchers to develop new and...

Accelerated Materials Innovation: TechConnect 15-17 November

At the TechConnect Europe meeting in Malmö, Fedor will present a technical talk as well as an innovation pitch on Accelerated Materials Innovation Through Machine-Learning Assisted Atomistic Modeling. By combining active learning with atomistic methods,...

Is Metallophilicity Really Attractive?

Metallophilicity (M-M’ closed-shell interaction) was discovered in the early 1970s, when close metal-metal contacts were observed extensively in d10-d10 (AuI-AuI, AgI-AgI, CuI-CuI, Pd0-Pd0, Pt0-Pt0) and d8-d8 (RhI-RhI, IrI-IrI, PtII-PtII, PdII-PdII) transition metal complexes. Metallophilicity is...

XPS and NEXAFS study of an ambipolar phosphorescent host material for OLEDs

The single channel DFT-KS approach with Transition Potential (TP) scheme1  (DFT-TP) is able to describe the K-shell NEXAFS spectra of light atoms by including most of the relaxation effects upon the core−hole formation. It provides a single set...

Virtual ACS Meeting 2020: August 17 – 20

Attending the ACS meeting virtually this year? We have a virtual booth where we’re happy to discuss any of your computational chemistry & materials modeling challenges. Interested in OLED modeling? Check out the broadcast session...

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...