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...
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...
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...
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...
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,...
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...
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...
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...
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...
Fedor will be presenting at the Emerging Technologies 2020 conference in Shanghai. If you’re there, check out his talk in the OLEDs Summit track on January 15th. Learn how using simulations can accelerate new material...