Developing catalysts, advanced materials, or trying to understand your chemistry? We love to discuss your science, come and find out what our software can do to advance your research. At SCM we are passionate about making computational chemistry work for you, focusing on both scientific applicability and usability. With our electronic structure tools and advanced molecular dynamics methods, you can understand spectroscopy, reactivity and material properties from atomistic simulations, reducing the experimental search space and giving better insight in design principles.
The density functional, tight-binding, reactive molecular dynamics and property prediction tools are all in a single package, easy to install and use, with excellent support from our experts.
Besides our molecular and periodic DFT codes ADF and BAND, interface to Quantum ESPRESSO, the DFTB and MOPAC modules, ReaxFF, and COSMO-RS modules, we offer an extensive python scripting environment, enabling fast workflow set up and customization.