Latest News

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

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 calculating accurate infrared/Raman/UV-VIS/X-ray spectra of molecules and materials. The work will...

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...

Webinar on Potential Energy Surface Explorations by Dr. Nestor Aguirre: Thursday 19 May 2022, 3pm CEST

Dr. Nestor Aguirre is SCM’s expert on multiscale modeling and working on integrating and improving features like the potential energy surface exploration and kinetic Monte Carlo modules in the Amsterdam Modeling Suite. In this forth...

Webinar on ParAMS by Dr. Matti Hellström: Thursday 05 May 2022, 3pm CEST

Dr. Matti Hellström is SCM’s product developer and supervised the development of ParAMS, the parameter optimization toolkit of the Amsterdam Modeling Suite.In this third session of the AMS & Science 2022 webinar series titled Parametrize...

Molecular Dynamics Webinar by Dr. Tomáš Trnka: Tuesday 03 May 2022, 3pm CEST

Dr. Tomáš Trnka is SCM’s expert on molecular dynamics and accelerated dynamics.In his upcoming webinar talk Molecular Dynamics: Tips, Tricks, and the Properties of Matter (slides) Tomáš will share some best practice approaches and know-how...