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...
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...
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...
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...
Thomas gave an overview of the Amsterdam Modeling Suite for the Latin American theoretical chemistry community. With applications to organic electronics, batteries and polymers. Watch it back on youtube!
Learn how to use ADF to optimize molecules for Thermally Activated Delayed Fluorescence (TADF) for optimal conversion efficiency in OLED materials with our new advanced tutorial. TADF optimization tutorial
It is almost time for the IDTechEx show in Berlin! On the 10th and 11th of April, you can find Thomas Soini and Fedor Goumans at stand F14. They are looking forward to meeting you...
Since its first appearance in 2010, the optimal tuning of the range-separated hybrid functional has reshaped the landscape of computational chemistry, by placing routine DFT calculations on par with those of the prohibitively expensive many-body...
The effects of dispersion forces on the structure and charge separation (CS) in the P3HT/PCBM dimer were studied using state-of-the-art computational methods in ADF (DFT-D3, TDDFT–CAMYB3LYP). The authors demonstrate the importance to properly account for...
Optimizing TADF emission Long-range corrected density functional theory can ameliorate some of the known problems of DFT dealing with charge transfer states (e.g. push-pull systems). These systems are of great interest for organic electronics, and...