A Voyage From Molecules to Materials Norway

The goal of NMQC is to gather interdisciplinary scientific expertise to promote a fruitful exchange of ideas and spur progress in the development of this field.Traditional quantum chemical methods are being pushed to the limit of their capabilities due to the growing focus on high accuracy and large non-periodic systems. The need for innovative approaches is now manifest.

Real-space numerical methods are a promising alternative: they are mathematically robust, very accurate and well suited for modern, massively parallel computing resources. However, they are still not a mainstream activity in quantum chemistry: their current computational overhead, their memory footprint and the lack of widely available software with standard features are among the challenges that need to be overcome.