Low-order scaling and accurate GW calculations with ADF

The GW method has become an increasingly popular method to calculate charged excitations in molecules. However, achieving consensus between different GW codes is challenging since GW calculations are very sensitive with respect to many technical...

Job opening: software developer COSMO-RS and other thermodynamic property models

SCM is a growing and profitable scientific software company in Amsterdam, developing and marketing software in computational quantum chemistry and materials science for over 25 years. We have grown quite rapidly to around 20 developers over the...

Job opening: scientific software developer

SCM is a growing and profitable scientific software company in Amsterdam, developing and marketing software in computational quantum chemistry and materials science for over 25 years. We have grown quite rapidly to around 20 developers over the...

Job opening: Machine Learning Developer

SCM is a growing and profitable scientific software company in Amsterdam, developing and marketing software in computational quantum chemistry and materials science for over 25 years. We have grown quite rapidly to around 20 developers...

Transformable Polyoxometalates, Sustainable Nanoelectronics

Molecular metal oxides, or more notably polyoxometalates (POMs) are being researched for over a century. Their structure benefits from very high stability, whose inherent connectivity relies predominantly on metal-oxygen bonds. Theoretical insights into the bonding...

Aqueous speciation of polyoxometalates

Polyoxometalates self-assembly in aqueous solution is still a subject under study. This is due to the high complexity that involves describing all the chemical equilibria. Experimental techniques investigated this matter with great successes yet more...

Capacitive mechanism of birnessite uncovered by experiments and simulations

The adsorption and intercalation of ions from the electrolyte into the interlayers of the electrode material is a key process in electrochemical energy storage. It is described by two adsorption extremes: 1) adsorption involving mainly...

Job opening: Customer Support Officer

SCM is a growing and profitable scientific software company in Amsterdam, developing and marketing software in computational quantum chemistry and materials science for over 25 years. We have grown to around two dozen people over the last...

New organic electrolytes for aqueous redox flow batteries by molecular design

In a recent Science paper, PNNL researchers show that by judiciously designing fluorenone derivatives, the reoxidation of the reduced fluorenol can be achieved reversibly in an aqueous redox flow battery. The combined experimental and computational...

New tutorials: automatic reaction networks, crystals, surfaces, polymers, ETS-NOCV, polarizable force fields

The Amsterdam Modeling Suite 2021 release also includes a few new tutorials which we hope are useful to get you started: Automatic reaction networks (PES exploration) water on ZnO hydrohalogenation cluster growth Introduction to crystals...