Latest News

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 ADF development version r64596)! Splittings due to the spin-spin couplings can now be displayed and regions of chemical equivalency, e.g. as in...

Short Easter break

The SCM offices will be closed on the Dutch National Holidays on Good Friday and ‘Easter Monday’. Therefore, unfortunately we will not be able to deal with your support, trial and price quote request from...

SCM at ACS New Orleans

Fedor is again looking forward to discuss research challenges with chemists from all disciplines at booth 433 of the ACS exhibition in New Orleans, 18-20 March. Come by and have a chat – we’ll demo...

SCM at the TMS conference in Phoenix

Fedor is excited to take the SCM booth for the first time to the annual meeting of the minerals, metals & materials society (TMS2018) in Phoenix. Drop by booth 523 at the exhibition between 12-14...