Latest News

EU Nanotech mission Japan: 14-16 February

See ADF in Action at Nanotech 2018 in Tokyo’s Big Sight! Fedor joins the EU Nanotech/SME cluster mission at the International Nanotechnology Exhibition & Conference. Come and discuss your research challenges and find out how...

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...

Tutorial: Battery Discharge Voltages with Grand Canonical Monte Carlo / ReaxFF

A brand new advanced ReaxFF tutorial is now available: Learn how you can combine grand canonical monte carlo simulations with ReaxFF and, with just a little bit of PLAMS, calculate discharge voltage profiles. The discussed systems and...

Korea workshop: Chemistry & Materials modeling (Daejeon, 9 February)

Bring your laptop to Daejeon to learn hands on how to tackle your chemistry & materials science problems with computational chemistry! After the workshop you will can explore the ADF Modeling Suite further for one...

Tips & tricks for finding transition states, bonding analysis

Happy New Year! The SCM team wants to help you to advance your research. So we’ll be reaching out more often with a newsletter highlighting events, tips & tricks, new features, and events. Subscribe to our newsletter to...

Tutorial: Li-ion diffusion coefficients with ReaxFF

We have set up an advanced tutorial in which we discuss how to calculate Li-Ion diffusion coefficients with ReaxFF in (dense) materials both directly from a trajectory and by means of extrapolation from high temperatures....

Yale seminar: Chemistry & Materials with ADF

Come to the ADF seminar on December 1st at Yale to learn about new and planned developments in the ADF Modeling Suite. The seminar is hosted by Prof. Victor Batista at the Yale Chemistry Research Building...

Discuss your Materials Science challenges at MRS fall meeting

Whether you research nanoparticles, 2D electronics, organic electronics, photovoltaics, polymers or other materials, we love to hear about your challenges. Maybe we already have the right tools in our ADF Modeling Suite, or we can...

Discuss computational chemical engineering at WCCE10

Ole and Nick will represent SCM at the 10th World Congress of Chemical Engineering, held in Barcelona from 1-5 October. At the SCM booth at the Expoquimia (2-6 October) they will happily demo ReaxFF for studying...

Benchmark: density functionals and settings for band gaps

Jetsabel Figueroa, MSc. student in the OptoElectronics group at the TU Delft, benchmarked band gap calculations with BAND. During her internship with SCM she made use of the python scripting tool PLAMS (see the script with...