Materials & digitalisation: the backbone of the green transition
Intellegens CSO, Dr Gareth Conduit, will give a plenary presentation at the EMMC International Workshop in April.
Organisers: The European Materials Modelling Council
Location: TU Wien, Vienna, Austria.
Intellegens speaker: Dr Gareth Conduit
Presentation title: Green materials in less time: accelerated discovery with machine learning
Note: this is a hybrid event; it is possible to attend both in-person and online.
Abstract
Green materials in less time: accelerated discovery with machine learning
We present a machine learning methodology, Alchemite, that exploits multiple sources of materials information: experimental data, physical laws, and computer simulations, to make the best possible predictions. We illustrate the approach with two case studies:
Firstly, we design and experimentally verify a nickel-base superalloy for direct laser deposition that could markedly improve the fuel efficiency and lower the carbon footprint of gas turbine engines. Starting from a training set comprising just eight results, the machine learning tool juxtaposes complementary material properties to circumvent missing data.
Secondly, we use Alchemite to guide the design of materials for batteries for use in electric vehicles. The proposed graphite-based electrodes are experimentally verified to have excellent cycle life and capacity in agreement with machine learning predictions.
Finally, we discuss further case studies that highlight the breadth of applications of the generic approach.