Latest News

SCM at ACS Fall meeting

Going to the ACS fall meeting in Chicago? Come check out presentations by Fedor Goumans, Nestor Aguirre, and new SCM employee Arno Förster. Also come grab a stroopwafel and discuss your research with us at...

AMSmovie: Radial distribution functions (video tip of the week)

In this last video tip of the week before a longer break, Ole shows how to calculate radial distribution functions from within AMSmovie. More trajectory analysis is found in the according section of the AMS...

Welcome to the SCM team: Wei-Lin Chen & Paul Spiering

We are glad to welcome our new colleagues to the SCM team: thermodynamics expert Dr. Wei-Lin Chen & machine learning expert Dr. Paul Spiering! As always, we are happy to hear your feedback on how...

International Symposium on Flexible Organic Electronics ISFOE2022

If you are going to Nanotexnology 2022, make sure to see Thomas Soini’s talk on OLED modeling with AMS (and some results for multiscale modeling with Simbeyond). He’s presentation is at 7pm in Timber hall...

AMSspectra: Comparison with experimental spectra (video tip of the week)

In this 15th video tip of the week, Ole compares experimental and simulated NMR spectra with AMSspectra. The video is based on the ADF tutorial H-NMR with spin-spin coupling.

SCM at WATOC

Going to WATOC 2020 in Vancouver, 3-7 July 2022? Come grab a stroopwafel at booth 116, and discuss collaboration options, research applications, or computational chemistry in general with our CEO Stan van Gisbergen and software...

New ADF teaching exercises computational chemistry course

We hope you will find the new computational chemistry course by Amanda Morgenstern from UCCS useful for your own classes. The assignments are available as pdf from the links below. Answer keys can be requested from Amanda....

Molecular orbital diagrams with AMSlevels (video tip of the week)

In this 14th video tip of the week, Ole demonstrates how easy AMSlevels can visualize the results of a DFTB calculation with atomic or molecular fragments.

2022 Tom Ziegler award for Prof. Christopher Rowley

Congratulations to Prof. Christopher Rowley of Carleton University! Chris received the Tom Ziegler award for outstanding early-career contributions to computational chemistry.

AMS GUI: How to use ‘Tune Geometry’ (video tip of the week)

In this 13th video tip of the week, Ole shows how to use some functions of the ”Tune Geometry” dialogue to position an adatom as well as a partial optimization of an edited structure with...