Molecular Modelling in Industrial Research and Development

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Introduction

Molecular modelling is an important approach in industrial R&D worldwide. It is a cost-effective, sustainable, and safe approach, reducing the need for chemicals and laboratory experiments.

We are looking for industrial partners who would like to join a Business Finland Co-Innovation project consortium. We aim to find industrially relevant R&D cases and use molecular modelling to surpass barriers to innovation.

For more information about molecular modelling in industrial R&D, please see our Materials bank.

Photo: Jacofin/Wikipedia

Economic impact

"It has been demonstrated in many individual cases that materials modelling is a key enabler of R&D efficiency and innovation. Companies reported that computational modelling benefits include reduced R&D time and cost, more efficient and targeted experimentation, more strategic approach to R&D, a route to performance optimisation, wider patent protection, improved supply chain control, enhanced decision making and early understanding of application performance aiding faster and more assured market introduction." - The European Materials Modeling Council (EMMC)

Molecular modelling enables R&D process improvements with a return of investment in the range of 3:1 to 9:1.

The economic impact of molecular modellig, Goldbeck Consulting, 2012 (link)

The economic impact of materials modelling, Goldbeck Consulting, 2016 (link)



Project team

Prof. Kari Laasonen (PI)

Chemical reactivity, catalysis and electrochemistry

Dr. Virve Karttunen

Project Manager of Co-creation –project

Chemical reactivity, catalysis and polymers

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Prof. Antti Karttunen

Inorganic materials, physical properties of materials, spectroscopy


Dr. Maria Sammalkorpi

Soft materials, polymer materials, colloids (aqueous and oil-based systems)


Contact information

Project Manager Virve Prof. Antti Karttunen, virveantti.karttunen@aalto.fi, +358-50 476 1011-3473475

School of Chemical Engineering, Department of Chemistry and Materials Science


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