Latest News

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...

Job opening: Marie Curie PhD fellowship – Theoretical Physics / Chemistry – Machine Learning / Software Development

Note: This position has been filled. You can no longer apply. Summary SCM, a scientific software company located in Amsterdam, is looking for a PhD student who will research and implement new machine learning (ML) methods for...

AMS MD: Calculating viscosity with the Green-Kubo relation (video tip of the week)

In this 12th video tip of the week, Ole shows how to use the auto correlation functions available within AMSmovie to calculate the viscosity via the Green-Kubo relation. The video is based on the tutorial...

AMS polymer builder: Generating periodic polymer structures (video tip of the week)

In this 11th video tip of the week, Ole talks about to take molecular structures generated by the polymer builder and pack them into a periodic box for property estimation such as the glass transition...

Webinar on Polarizable embedding models for spectroscopy by Prof. Chiara Cappelli and Dr. Franco Egidi: Thursday 26 May 2022, 3pm CEST

Franco Egidi and Prof. Chiara Cappelli from SNS Pisa will provide a presentation of the latest developments of QM/FQ embedding models and their usage in spectroscopy applications and demonstrate how to use some of these...