Software for Chemistry & Materials


Software for Chemistry & Materials

General description of organisation

Software for Chemistry & Materials BV (SCM) is an Amsterdam-based scientific software company developing and supporting the Amsterdam Modeling Suite (AMS), a comprehensive suite of simulation tools to model chemistry, materials & processes. Many researchers worldwide in academia and Fortune 500 companies in various industry sectors (electronics, automotive, batteries, chemicals, oil and gas, pharma ..) use AMS to understand and predict molecular and materials properties.

Since SCM spun out from the VU University Amsterdam in 1995 it has been growing steadily ever since, to a team of over 2 dozen today. Most of the SCM team are PhD-level software developers and scientific support staff. They collaborate with many universities and companies to continuously improve our software to enable researchers to tackle tougher challenges. To date, around 170 authors have contributed to the development of AMS. SCM also collaborates in many European Union and national projects to include the latest modeling algorithms, address materials R&D challenges, and train young researchers.

Through partnering with other software companies, SCM is extending the atomistic modeling capabilities of AMS to multiscale simulation platforms for developing new organic electronic devices, batteries, and chemical reactors.

Information on projects, services, products

The Amsterdam Modeling Suite (AMS) 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), various force fields (classical, polarizable, ReaxFF, machine learned), a continuum fluid thermodynamics module (COSMO-RS), an advanced driver for complex MD and PES tasks (AMS driver), a Parametrization module for parametrizing ReaxFF, DFTB, and ML potentials (ParAMS), and a python scripting and workflow tool (PLAMS), it contains an integrated Graphical User Interface – all easy to install from a single package.

Interfaces to meso- and macroscale modeling include the OLED workflow tools which provides input for device level modeling and the python and GUI interface to kinetic Monte Carlo code Zacros.
The SCM developers provide excellent, expert technical support. SCM also offers consulting and contract research options. In these projects, the goal is usually to help researchers build a proof of concepts, and further help them on their way to leverage our software reduce research time and costs for developing new molecules, materials, and processes.

EMMC Contacts

Stan van Gisbergen
Sergio Lopez
Fedor Goumans
European Materials Modelling Council
Silversquare Stéphanie
Avenue Louise 54
1050 Brussels
CBE no: 0731 621 312