When: 2 – 3 November, 11:45 – 17:25 GMT
Where: Online
The UK Catalysis Hub and Centre for Rapid Online Analysis of Reactions (ROAR) hosted a virtual meeting to discuss the impact of automation and digital chemistry on catalysis.
The discovery, design and optimisation of catalysed reactions are undergoing profound and transformative changes, driven by the growing use of automation/robotics, flow chemistry, and the integration of data and machine learning into workflows. This meeting was designed to allow pioneers and practitioners to share their experiences, followed by time for questions and panel discussions in each of the four focus areas (automation, digital chemistry, chemistry in flow and industry 4.0). The meeting was virtual over 2 afternoons on 2nd and 3rd November 2022, and it included contributions from speakers based in both industry and academia, from the UK and abroad, as well as highlighting some of the UK’s facilities open to external users in the UK.
Speakers included:
Lee Edwards, GSK
Prof. Ian Fairlamb, University of York
Dr. Tobias Gensch, TU Berlin
Prof. Jason Hein, University of British Columbia
Dipannita Kalyani, Merck
Prof. Heather J. Kulik, MIT
Prof. Marc Pera Titus, Cardiff
Dr. Anna Slater, University of Liverpool
Dr. Giulio Volpin, Bayer AG
Jason Wang, University of California, Los Angeles
Simon Yates, AstraZeneca
Organised with Dr Natalie Fey & Prof Adrian Mulholland (University of Bristol), Prof Mimi Hii (Imperial College London) and Dr Ben Deadman (ROAR).
PROGRAMME
Click on the speaker names below to view presentation recordings, talk abstracts and speaker biographies:
2 November
11:45 Introduction to facilities in the UK from ROAR – Ben Deadman, ROAR / Rebecca Schultz-Graham – University of Bristol
12:15 Welcome and introduction to session 1 – Dr Natalie Fey, University of Bristol
Session 1 – Flow
Chair: Dr. Ben Deadman, ROAR
12:30 Trickle Bed Reactors An Emerging Technology In Pharma – Lee Edwards, GSK – Watch Now
13:00 Developing tools to discover and optimise complex chemical systems – Dr. Anna Slater, University of Liverpool – Watch Now
13:30 Digital Chemistry as a robust tool for the design of heterogeneous catalysts for direct amination reactions – Prof. Marc Pera Titus, Cardiff – Watch Now
14:00 Discussion
14:30 BREAK
Session 2 – Digital
Chair: Dr. Natalie Fey, University of Bristol
15:00 Accelerating open shell transition metal catalyst discovery with machine learning – Prof. Heather J. Kulik, MIT – Watch Now
15:30 Providing accurate chemical reactivity prediction with ML models – Jason Wang, University of California, Los Angeles – Watch Now
16:00 Data-driven workflows to guide experiments and understand ligand effects in catalysis – Dr. Tobias Gensch, TU Berlin – Watch Now
16:30 Discussion
17:00 Close
3 November
12:15 Welcome to Day 2
Session 3 – Automation
Chair: Prof. Mimi Hii, Imperial College London
12:30 Complexity in Pd–Catalyzed Cross-Couplings: Uncovering Competing Catalytic Cycles Through High Throughput Experimentation and Rich Data Analysis of Reaction Outcomes – Prof. Ian Fairlamb, University of York – Watch Now
13:00 Open-Source Chromatographic Data Analysis for Reaction Optimization and Screening – Dr. Giulio Volpin, Bayer AG – Watch Now
13:30 Flexible Automation: A New Approach to Meet Evolving Challenges – Prof. Jason Hein, University of British Columbia – Watch Now
14:00 Discussion
14:30 BREAK
Session 4 – Industry 4.0
Chair: Prof. Adrian Mulholland, University of Bristol
15:00 Accelerating Drug Discovery: Innovations In Catalysis And High-Throughput Experimentation – Dipannita Kalyani, Merck
15:30 Automating Chemical HTE workflow and dataflow – Simon Yates, AstraZeneca
16:00 Discussion
16:20 Sarah Newman, EPSRC
16:30 Future steps
17:00 Close
These webinars will be recorded and available following the event on our website.
Visit https://www.eventbrite.com/e/the-impact-of-automation-and-digital-chemistry-on-catalysis-tickets-383415244317 to register for free.