Latest News

Advanced ReaxFF training workshops

We will be holding advanced AMS2018 hands-on workshops in China & Japan, in collaboration with our resellers and local universities. In China we will have two 2-day workshops in Beijing (22+23 October) and Dalian (24+25...

Crosslinked Epoxy Polymers with ReaxFF Bond Boost – Advanced Tutorial

Check out our latest advanced tutorial on creating crosslinked polymers with the ReaxFF bond boost method. By judicially adding a bias potential when the epoxy resin and amine hardener are in a geometry prone to...

Amsterdam Modeling Suite 2018 Released

Our developers and collaborators have worked hard on our new major release: Amsterdam Modeling Suite 2018 (AMS2018). In this major release we are proud to offer a new driver AMS to perform complex potential energy surface...

Job openings: 4 PhD fellowships – Theoretical Chemistry – method/software development

PhD fellowships – summary SCM, a scientific software company located in Amsterdam, developing software packages in the area of theoretical quantum chemistry and materials science, is coordinating the EC-funded European Industrial Doctorate network AutoCheMo, a...

Luuk Visscher elected member of the IAQMS

Congratulations to Luuk Visscher for being elected as a member to the prestigious International Academy of Quantum Molecular Science – well deserved! He joins a select academy of well-known theoretical chemists, including both our founding fathers and...

ACS fall meeting Boston: Amsterdam Modeling Suite 2018 preview

Going to the American Chemical Society fall meeting in Boston? Fedor would love to talk to you about which keeps you busy scientifically! SCM will be at the expo at booth 1119 (Sun 5.30-7.30 pm,...

COSMO-RS: Fast sigma profile estimations and new UNIFAC implementation

Fast estimation of sigma profiles for high-throughput screening Thermodynamic properties of liquids and solutions can now be very quickly predicted, through fast approximations of sigma profiles through SMILES strings or xyz coordinates. These new fast...

ReaxFF – Analyze surface reactions

In the ReaxFF development version it is now possible to detect if a molecule is adsorbed to a surface and even distinguish between different adsorbed species. The new species detection allows for an easy tracking of...

Tutorial: epoxy polymers mechanical properties

In a recent study by Matthew S. Radue and coworkers,  experimental and theoretical methods were combined nicely to demonstrate the applicability of the ReaxFF potential for the prediction of mechanical properties of highly cross-linked epoxy polymers....

New NMR tutorial

Check out our new GUI tutorial on NMR chemical shifts and spin-spin coupling constants (requires Amsterdam Modeling Suite 2018)! Splittings due to the spin-spin couplings can now be displayed and regions of chemical equivalency, e.g. as in...