ATLAS - Automated high-throughput platform suite for accelerated molecular systems discovery

Lead Research Organisation: Imperial College London
Department Name: Chemical Engineering

Abstract

The materials design space is too large to be explored empirically. While experimental work can be directed by computational modeling to make this challenge more tenable, the number of tests/syntheses may still be too large on an experimental time-scale.

The goal of this project is to combine computational tools (e.g. molecular modelling, process modelling, computer-aided design) and automated HT synthesis and screening platforms to drive and accelerate the discovery and optimisation of new materials.

Specifically, ATLAS (Automated high-Throughput pLatform Suite) will comprise three robotic stations dedicated to the synthesis (two platforms) and screening (one platform) of materials. It will be located at Imperial College South Kensington Campus and be paired with materials characterisation equipment able to handle many samples owing to dedicated auto-sampling stations. By executing data-rich experiments, ATLAS will increase the pace of innovation, while enhancing reproducibility.

The research enabled by ATLAS will initially target challenges related to the discovery and optimisation of new medicines, sustainable polymers and clean energy materials.

Publications

10 25 50
 
Description ATLAS facility was launched in April 2023. Since then, we have been able to start short- and medium-term projects that use the facility to produce results. This early work is showing the flexibility of the facility to accommodate energy materials and new medicines research, two of the three themes of the facility. Work towards the third theme, sustainable polymers, has yet to be fully initiated.
Exploitation Route Besides the new science that each project using ATLAS facility is generating/will generate, the main outputs that can be directly use by others are the automated high throughput workflows that will have been established as well as the know-how to use the platforms for different types of materials synthesis, characterisation and testing.
Sectors Chemicals

Energy

Environment

Manufacturing

including Industrial Biotechology

Pharmaceuticals and Medical Biotechnology

Other
 
Description Bio-derived and Bio-inspired Advanced Materials for Sustainable Industries (VALUED)
Amount £6,139,080 (GBP)
Organisation Engineering and Physical Sciences Research Council (EPSRC) 
Sector Public
Country United Kingdom
Start 01/2023 
End 12/2027
 
Description Probing the Fundamental Limits to the Catalysis of Green Hydrogen Production
Amount £402,436 (GBP)
Organisation International Centre for Advanced Materials 
Sector Private
Country United Kingdom
Start 08/2022 
End 08/2027
 
Description iCASE studentship
Amount £40,000 (GBP)
Organisation BP (British Petroleum) 
Sector Private
Country United Kingdom
Start 09/2022 
End 09/2026
 
Description ATLAS launch 
Form Of Engagement Activity Participation in an activity, workshop or similar
Part Of Official Scheme? No
Geographic Reach National
Primary Audience Professional Practitioners
Results and Impact On Thursday 20 April 2023, the new automated high-throughput platform suite (ATLAS) was launched at Imperial College London with a series of talks from academic and industry on advances in automation. Professor Julie McCann, Vice-Dean (Research) for the Faculty of Engineering, opened the event by setting out Imperial College London's research mission and academic strategy. The first session focused on researchers from Imperial and how the cross-faculty initiatives, including DigiFAB, Imperial-X, ROAR and DIGIBAT, inhabit a shared research ecosystem of automation, data and modelling in which ATLAS will play a key role. Following sessions focused on 'High-throughput computational work for molecular systems discovery and design', clean energy materials, sustainable polymers and new medicines.
Year(s) Of Engagement Activity 2023
URL https://www.imperial.ac.uk/news/245053/imperial-launches-groundbreaking-automation-facility/
 
Description Great Exhibition Road Festival 2023 
Form Of Engagement Activity Participation in an open day or visit at my research institution
Part Of Official Scheme? No
Geographic Reach Regional
Primary Audience Public/other audiences
Results and Impact We organised an interactive exhibit to showcase the Accelerated Robotic Discovery of Porous Materials. For this, we covered two topics that relate to ATLAS research areas: porous materials and the use of state-of-the-art automation to accelerate their discovery. We highlighted the role robotic platforms can play in accelerating research, particularly in the context of the discovery of new materials. Second, we showed the role of porous materials in addressing sustainability and energy challenges. The two topics are linked since robotic platforms can accelerate the discovery of porous materials that can be used to efficiently address issues like CO2 capture for instance.
As part of the Festival, our aim was to raise awareness of these two topics and link them to subjects that the general public would have heard of in the media, e.g., carbon capture, Artificial Intelligence, machine learning. While addressing the public's questions, our goal was also more generally to inform the audience about the current status of research in these fields.
Our exhibit included 4 activities:
1) Robotic liquid dispenser, dispensing coloured solutions forming the ATLAS logo
2) Touchscreen game - assembly of a porous material & gas capture
3) 3D-Models - demonstrate surface areas & structures of porous materials
4) CO2 capture set-up - 2 identical transparent containers: 1 filled with a colorful porous material & an empty one. Each container weighed, filled with a gas, then reweighed to show that the porous material can store more CO2 than the empty container.
Year(s) Of Engagement Activity 2023