About us

Scientists at SCM are passionate about making computational chemistry work for you, to help your research and development. We feel strongly about developing user-friendly and powerful software, to make your research life easier. We always value feedback on how to further improve our software in terms of capabilities, speed and usability!

Multi-scale reactor modeling

We collaborate with many researchers and with hardware partners to make fast, efficient, and easy to use software. We work with scientists across the globe and participate in many EU networks to enable you to solve even tougher research problems, and in a broader context, tackle the societal challenges of our current and future generations.

We love to discuss your science!

All our software developers have a background in computational physics or theoretical chemistry (most with a PhD), and have years of experience in applying and developing new computational chemistry software. 

We are happy to share our knowledge with you. Our extensive tutorials range from getting to know the graphical user interface to advanced materials simulations taken from current literature. All tutorials can be explored during your fully functional free evaluation of the Amsterdam Modeling Suite. 

Installing the Amsterdam Modeling Suite is a one-click operation but our experienced team gives excellent technical support, even during your free evaluation should you need any help.

Amsterdam Modeling Suite: why & where?

Simulations are used in many different application areas to get insight in molecules, reactions, materials & processes. Rational design through detailed understanding, and reverse or forward property predictions helps guide industrial RD&I to reduce experimental efforts. The Amsterdam Modeling Suite helps researchers in a wide range of markets such as the electronics, oil & gas, catalysis, batteries, and pharma. Likewise, non-profit institutions use SCM’s software to tackling a similar wide range research problems, offering also detailed scrutiny and analysis.

See Application Areas

Amsterdam Modeling Suite: what?

The Amsterdam Modeling Suite is an easy to deploy computational chemistry software, covering a wide range of tools. Besides DFT for molecules (ADF) & periodic systems (BAND, Quantum ESPRESSO), fast & approximate electronic structure methods (MOPAC, DFTB), a reactive force field (ReaxFF), a continuum fluid thermodynamics module (COSMO-RS), an advanced driver for complex MD and PES tasks (AMS driver), and a python scripting and workflow tool (PLAMS), it contains an integrated Graphical User Interface – all easy to install from a single package.

Brief history of SCM

Software for Chemistry & Materials B.V. (SCM) is an Amsterdam-based computational chemistry software company. Originally spinning out from the Vrije Universiteit as Scientific Computing & Modelling NV in 1995, the SCM team supports and develops the Amsterdam Modeling Suite, centered around the flagship program Amsterdam Density Functional (ADF), which was originally developed in the 1970s in the theoretical chemistry department. Over a 140 authors have contributed to our software.

SCM is now a thriving private company collaborating with large companies and academic development groups around the world, and participating in many EU projects as well as national ones. SCM’s powerful computational chemistry tools are used by seasoned theoreticians as well as experimental researchers. Our customers are active in academia, government labs and industry studying various fields of chemistry and materials science.

Our heritage

The foundations for ADF were laid in the 1970s, when Prof. Baerends pursued his Ph.D. at the VU University in Amsterdam. Prof. Ziegler joined the development efforts from early on as a post-doc. Both professors have been actively advocating the use of density functional methods to get insight in chemistry and materials properties. Their Ph.D. students and post-docs have considerably contributed to the further development of ADF and BAND, as did the Snijders group in Groningen (see also list of theses). Profs. Baerends and Ziegler were also actively involved with scientific advise for SCM, completing the board of directors with CEO Dr. Stan van Gisbergen. Sadly, Prof. Ziegler passed away in 2015 (see tribute).

Prof. Baerends’ Ph.D. work in the early 1970s laid the foundation for ADF. With a very broad DFT-related interest, a strong pragmatic approach and theoretical grasp, the further development of ADF and BAND has always been a primary research focus. After his Dutch retirement and a few years at Pohang University of Science and Technology he is still active as an emeritus professor at the VU in the Theoretical Chemistry group, which he has headed for a long time. Prof. Baerends is a member of the International Academy of Quantum Molecular Science and the Royal Netherlands Academy of Science.

Prof. Ziegler joined the ADF developments very early. He has headed the Theoretical Inorganic Chemistry group at the University of Calgary, Canada, until he suddenly and peacefully passed away in March 2015. Many developments in the ADF Modeling Suite have come from his group, including PES studies, COSMO, and new methods for bonding analysis and spectroscopy. Prof. Ziegler held the prestigious Canada Research Chair, is highly cited among experimental and theoretical chemists alike, and has won many awards, including the Schrödinger Medal  and the Steacie Award. Prof. Ziegler held a broad DFT-related research interest, as described in our commemoration.