Three priorities of data-driven development of advanced materials: Generate, Dcoument, Access and interrogate data and knowledge

Materials 2030 Roadmap draft published

A wide range of stakeholders in Europe are elaborating a roadmap for “a strong European Materials ecosystem driving the green and digital transition”. We are pleased to have contributed together with EMMC to Part I – Advanced materials – from vision to mission and action and the cross-cutting challenges. In particular, the roadmap proposes future actions to accelerate digitalisation of materials and product innovation highlighting three priorities:
1) Generating new data and knowledge: Develop digital and innovative methodologies for generating materials data and knowledge, including modelling, characterisation, production and testing technologies
2) Documenting data and knowledge: Develop and disseminate a common (standardized) language (ontology) for data exchange and knowledge management
3) Accessing and interogating data and knowledge: Provide reliable and easy access to and interrogation of generated data/information/knowledge
for all stakeholders
.

Goldbeck Consulting is involved in a range of projects supporting these actions, in particular in the areas of modelling, characterisation and ontologies.

Digital Marketplaces and their value for the Materials Modelling Ecosystem

We just published an overview paper of the emergence of digital marketplaces in the area of science driven industries, with a particular focus on materials modelling. Complex science and technology requires a wide range of tools and expertise, and benefits from assembling a network of skills and capabilities in an open innovation approach. Digital marketplaces are becoming crucial in orchestrating R&D that works in a complex ecosystem, ensure that a wider range of stakeholders and involved and that industry can access emerging developments from academia more readily. The paper discusses the emergence of marketplaces and e-commerce in general and provides successful examples of marketplaces in R&D outsourcing, materials expertise, data and simulations. Emerging marketplaces in materials modelling based on the EU H2020 MarketPlace and VIMMP projects are introduced.

Data background

Join the Goldbeck Consulting Team

We are looking for a Scientific Consultant to join our growing team and contribute to delivering a range of products, such as reports and studies around technical and business aspects of materials modelling and digitalisation across a wide range of industries. To a large extent our work is supported by European Horizon projects and hence the role is a great opportunity to collaborate with leading researchers from academia and industry throughout Europe.

Please contact us if you have any questions.

Data background

Materials Modelling: here is to the next 10 years

To celebrate 10 years of Goldbeck Consulting, we are pleased to launch our new look website (with many thanks to Karen Arnott!). It has been an amazing journey together with many clients and collaborators: universities and tech transfer organisations, small and large software companies, market intelligence organisations, publishers, small and large materials and pharmaceuticals companies from around the world. We are grateful for the opportunities and proud to have supported a more integrated and impactful materials modelling ecosystem, contributing to

Over the last ten years, advances in hardware, physics and data-based models, software and workflow integration have meant that industrial use is no longer a question of ‘why’ but of ‘how’ materials modelling can be used to best effect, increasing R&D efficiency and effectiveness. We look forward to the next ten years of connecting science to engineering and academia to industry, from quantum computing to digital twins.

 

Data background

Business Opportunities in Materials Modelling Software

Looking forward to the EMMC 2021 workshop on 2-4 March, for anyone interested in the software and business aspects there is an intriguing session on Industrial Requirements to Materials Modelling Software with a talk by Kurt Stobro (Stokbro Invest) on Business opportunities for materials science software. The talk promises to “analyze how we could successfully enter the very competitive market for commercial atomic-scale modelling software and discuss some of the opportunities that exist today for new entrants”. Having contributed a number of reports on the topic, e.g. on the Materials Modelling Software Market and Business models and sustainability for materials modelling software, we will be interested in the presentation and discussions in the session.

Software

Horizon 2020: New Centres of Excellence

The European Commission announced today an investment of €195 million via the Horizon 2020 programme in setting up and developing 13 new ‘centres of excellence’ in seven Member States, helping to boost research and innovation performance and inspiring the scientific community to develop new products and processes in tandem with leading scientific institutes from all over Europe.

We are pleased to see the new centres include ENSEMBLE3, which will focus on research excellence and innovation performance in the area of crystal growth-based technologies, novel functional materials with innovative electromagnetic properties, and applications in nanophotonics, optoelectronics and medicine.

Goldbeck Consulting supported ENSEMBLEin developing a Business Plan for the new centre and is looking forward to its fruitful implementation. Congratulations to Prof Dorota Pawlak and her team!

Data background

The Nanotechnology Consortium legacy

I am always  happy to see the strong innovation legacy of the Nanotechnology Consortium that I ran from 2004-2010 grow in the Materials Studio releases. The leading edge tools that the Consortium progressed from an academic code to a commercial release include ONETEP (linear scaling DFT), QMERA (coupled electronic-atomistic modelling) as well as the new GULP (atomistic modelling incl reactive forcefield) and DFTB+ (fast, tight binding based DFT). All have been further enhanced and by now are clearly a core part of the Dassault Systemès discrete modelling package. Particularly pleasing is the recent release of the reaction Kinetic Monte Carlo module Kinetix for the general public, about 10 years after it became available to Nanotechnology Consortium members. As other Reaction Kinetic MC tools have moved from academia to a wider industry use (see e.g. Zacros) it is clear that the Nanotech Consortium and all companies that supported it were leading the innovation. I am curious to see where the next wave of Dassault Systemès innovation in materials modelling is going to come from, as sadly the time of consortia seems to be over.

Gerhard Goldbeck

Data

Business models and sustainability for materials modelling software

We recently published a White Paper on Materials Modelling Software Business. Key findings are:

  • A variety of business models are identified, mostly based on a hybrid software and services approach. Software sales as well as subscription licenses in combination with a range of services (from initial implementation to contract research) are the predominant revenue mix.
  • Services play a significant role, with income ranging from 20-80% in many cases. Target software to services ratio is in the range of 70-80 / 30-20. Services are not as scalable but a substantial amount seems required due to the complexity of the software and science.
  • Software as a Service (SaaS) is still in its infancy in the materials modelling field. Ways of overcoming industry reservations with SaaS (e.g. security concerns) should be found since SaaS can greatly reduce software maintenance costs and provide a faster route for new features to get to users. Also, SaaS would help to reach small and medium enterprises.
  • New businesses developing services or SaaS based on proprietary software is somewhat hindered by the lack of business and licensing models between Software Owners and SaaS provider.
  • There is opportunity for Materials Modelling Marketplaces but also reservations in particular regarding customer relations.
  • Working closely with customers (via services and consortia etc.) is important to uncover why they are using your software and what it takes to retain them as well as to fund new developments.
  • Sustainability of software requires a change in education and better recognition of the persons in charge. Lifecycle of software requires substantial rethinking and a vision for the future as software’s age reaches decades.
  • It is important to engage with the academic community, find ways to make software engineering more exciting and bring in new standards to make software sustainable and maintainable.

The full White Paper is available via EMMC or Zenodo. The work was funded by the EU H2020 project EMMC-CSA, Grant Agreement No 723867.

Data background

Success Stories and Economic Impact of Materials Modelling

In the context of my work with the European Materials Modelling Council, I recently launched a survey to gather success stories and information about the economic impact of materials modelling. The survey aims to build on my previous report which was mainly based on a literature review.The survey is inspired by studies that have been done by IDC in the area of High Performance Computing, in particular their Innovation and ROI Awards. The results of their study show that even without absolutely complete information, a clear picture of the impact emerges as more and more cases are gathered.

Already ten organisations have taken part, and I am looking forward to the opportunity to discuss the initial findings at an international cooperation workshop on multiscale materials modelling organised by the European Commission in September.