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Autonomous Discovery of Advanced Materials

Project description

Robotics and ML for advanced materials

Functional materials possess particular properties and functions and have a determinant impact in a wide range of fields from healthcare to data storage and energy production. However, the design of functional materials cannot be approached with existing rules applied in the development of macroscopic objects. The EU-funded ADAM project intends to revolutionise the exploration process by combining synergistic exploitation of experiences in crystal structure modelling, prediction methods, chemistry and robotics. The aim of the project is to create and couple two parallel engines, a computational engine for evolutionary exploration of chemical space and an experimental engine for autonomous synthesis and properties testing, in order to establish an autonomous discovery platform that will search the immense and unexplored chemical space for new advanced materials.

Objective

Materials impact most aspects of our lives, including healthcare, energy production, data storage and pollution control. However, the design of functional materials cannot be approached with the certainty and the engineering rules that would be used in planning and constructing a macroscopic object, such as a car or bridge. This is because of the limited scope for design that exists at the atomic scale: experimentally realizable materials must correspond to local minima on a complex, multidimensional energy surface, whose positions and depths are difficult to predict. This project will change the way that we discover new molecular materials by revolutionizing the exploration process, rather than focussing on rules for intuitive design. This will be achieved through a unique synergistic partnership between three principal investigators, bringing together an international leader in crystal structure modelling and prediction methods, an experimental chemist with a track record for inventing new classes of functional materials, and a pioneer in robotics for laboratory and process automation. The programme integrates state-of-the-art computation, experiment and robotics, building on joint breakthroughs from our team (Nature, 2011; Nature, 2017) that lay the groundwork for a transformation in our materials discovery capabilities. We will build a Computational Engine for evolutionary exploration of chemical space using crystal structure prediction and machine learning of structure-property relationships for the assessment of molecules. In parallel, we will develop an Experimental Engine for autonomous synthesis and properties testing using newly-developed, artificially-intelligent, mobile ‘robot chemists’. The vision of ADAM is to couple these two engines together, creating an autonomous discovery platform that amplifies human creativity by searching the vast, unexplored chemical space for new materials with step change properties.

Fields of science (EuroSciVoc)

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Keywords

Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)

Programme(s)

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Topic(s)

Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.

Funding Scheme

Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.

ERC-SyG - Synergy grant

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Call for proposal

Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.

(opens in new window) ERC-2019-SyG

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Host institution

UNIVERSITY OF SOUTHAMPTON
Net EU contribution

Net EU financial contribution. The sum of money that the participant receives, deducted by the EU contribution to its linked third party. It considers the distribution of the EU financial contribution between direct beneficiaries of the project and other types of participants, like third-party participants.

€ 3 493 039,00
Address
Highfield
SO17 1BJ Southampton
United Kingdom

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Region
South East (England) Hampshire and Isle of Wight Southampton
Activity type
Higher or Secondary Education Establishments
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Total cost

The total costs incurred by this organisation to participate in the project, including direct and indirect costs. This amount is a subset of the overall project budget.

€ 3 493 039,00

Beneficiaries (3)

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