A Real-World Perspective …

An article just appeared which summarizes (and includes case examples for) some important lessons for the application of computational methods in drug design. I write about it here because it includes important messages also for the materials modelling and design field. There are differences of course since materials innovation is not always about new materials […]

Economic impact of materials modelling

Here is the executive summary of a new report on the economic impact of materials modelling, co-authored with Christa Court from MRIGlobal in the framework of the European Materials Modelling Council (EMMC) and the International Materials Modelling Board (IM2B). The full text as well as survey form is available here. At the core of the […]

Industry interactions of the electronic structure research community in Europe

I recently carried out a survey on behalf of the Psi-k network of the European ab initio research community and the CECAM-UK-JCMaxwell Node. The full report can be accessed here, and below is an overview. The report explores the interactions of the academic Psi-k community with industry and is based on a semi-quantitative survey and […]