Formulation 4.1: Putting Digital into Formulation 

Dr Helen Ryder, University of Manchester / Chair RSC FST - Welcome to Formulation 4.1

Dr Chris Ness, University of Edinburgh / RSC FST Committee member - Introduction to Session 1

Dr Mark Taylor, Centre for Process Integration - Digital in (CPI) Formulation

Presentation -  pdf
The word “digital” covers a great number of technologies. The word “formulation” covers a great number of industries and market areas. How then can one innovation organisation hope to apply Digital to Formulation effectively? This talk explores CPI’s Digital Strategy and how we are applying it to the world of formulation, giving examples from modelling & simulation, automation, informatics and process modelling.




Dr Breanndán Ó Conchúir, IBM Research - Making High Performance Computing Essential to the Formulation Industry

Presentation - pdf
In civil and mechanical engineering, the design process is done almost entirely by computer. A long-held goal in formulated product design is to shift from an ad hoc labour-intensive and expensive process towards a more robust and adaptive computer aided formulation paradigm. In collaboration, IBM Research in the UK, the Hartree Centre, and industry partners, driven by interactions with our partners’ wet-lab scientists are developing in-silico counterparts to the laboratory experiments they commonly perform as part of their R&D activity.
In this talk, I will present our strategy which is based on three distinct pillars. The first is about quickly and automatically producing predictive computational models for industrial systems. The second focuses on harnessing the latest IBM POWER(TM)-based High Performance Computing (HPC) systems and cognitive optimisation methodologies to accelerate these simulations. The final pillar centres on the production of easy-to-use computational appliances or tools, in the form of iPad apps, as a consumable service.
The goals of this work is enhanced de novo formulation design, shorter time to market, adaptive response to supply chain variability, and encouraging the adoption of formulation for sustainability. The ability to formulate virtually allows for acceleration of R&D processes, smoother development of new products, especially for high value manufacturing markets where growth arise from high R&D intensive efforts.
This work was supported by the STFC Hartree Centre’s Innovation Return on Research programme, funded by the Department for Business, Energy & Industrial Strategy.




Dr Maria Jimenez-Solomon and Ellen Piercy, Unilever - Formulator Superpowers

Presentation - pdf

The world is changing rapidly and the need for fast innovation to deliver products to market is more critical than ever. Formulations must be developed quickly in an increasingly complex materials landscape: we need to give formulators superpowers to meet the challenge! This talk shows you a few of the ways that Unilever is giving their formulators the powers to innovate boldly for people and the planet.




Dr Wendy Niu, RSC - RSC Digital Futures Report

Presentation - pdf

Digital technologies – from computational chemistry and multiscale modelling to machine learning and robotics – will play an increasingly important role in enabling and accelerating science R&D. This talk will summarise the key findings of the RSC’s recent Digital Futures report, which explores the long-term promise of digital technologies in scientific discovery and application. The report contains expert insights from a variety of scientific fields and sectors, including examples of how digital technologies can augment the work of scientists, and opportunities to nurture and push forward the interfaces between the chemical and digital sciences.


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