Latest News

Short Easter break

The SCM offices will be closed on the Dutch National Holidays on Good Friday and ‘Easter Monday’. Therefore, unfortunately we will not be able to deal with your support, trial and price quote request from...

SCM at ACS New Orleans

Fedor is again looking forward to discuss research challenges with chemists from all disciplines at booth 433 of the ACS exhibition in New Orleans, 18-20 March. Come by and have a chat – we’ll demo...

SCM at the TMS conference in Phoenix

Fedor is excited to take the SCM booth for the first time to the annual meeting of the minerals, metals & materials society (TMS2018) in Phoenix. Drop by booth 523 at the exhibition between 12-14...

Generate structures for substituent effect screening

Screening substituent patterns of a base compound is a common task in computer aided materials design. In a new tutorial we demonstrate how you can use adfprep to generate a large pool of new structures...

PhD position computational material science: designing quantum dots

A PhD position is available with Ivan Infante to use machine learning and advanced python workflows for predicting suitable precursors for new and improved quantum dots for solar cells and displays. The work will be...

PhD thesis Robert Rüger: Fast Excited State Calculations

Congratulations to Dr. Robert Rüger! On 14 February Robert successfully defended his PhD thesis entitled Approximations in Density Functional Based Excited State Calculations, describing the development, benchmarking and applications of fast methods for UV/VIS methods. Robert...

Visualization of local temperatures and other atomic properties with ADFmovie

Local temperature averaging in ReaxFF ReaxFF (development version r63428) can now calculate atomic temperatures and spatial averages thereof. Atomic temperatures are saved to the trajectories per default whilst the averaging is activated by the presence...

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...