Highlights with ‘organic electronics’

SCM at the MRS in Boston

Going to the 2019 MRS fall meeting 1-5 December 2019? Check out Matti’s talk on Machine Learning potentials for the next generation on materials modeling, and Thomas’s talk on multi-scale reactor modeling. (See also the...

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...

Webinar: Bridging Computations and Real-World Examples

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!

Advanced tutorial: Optimize TADF emitters for OLEDs

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

What to expect at the IDTechEx show?

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...

Solvation-Mediated Tuning of the Range-Separated Hybrid Functional

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...

Photoinduced Charge Separation in Organic Photovoltaics: Effect of Dispersion

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...

Tuning the range separation in LC-wPBE for organic electronics

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...

Controlled doping of organic semiconductors

The process of electrical doping, or charge transfer in general terms, was used in the early stages of developing organic electronics when conducting polymers were first discovered. Since then it has been largely unexplored in stark contrast...