Watch now – The impact of automation and digital chemistry on catalysis

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).


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 ‚Äď 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 ‚ÄstLee Edwards, GSK¬†¬†– Watch Now

13:00¬†Developing tools to discover and optimise complex chemical systems ‚ÄstDr. 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 РProf. Marc Pera Titus, Cardiff  РWatch 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 РProf. Heather J. Kulik, MIT  РWatch Now

15:30 Providing accurate chemical reactivity prediction with ML models РJason Wang, University of California, Los Angeles  РWatch Now

16:00 Data-driven workflows to guide experiments and understand ligand effects in catalysis РDr. Tobias Gensch, TU Berlin  РWatch 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‚ÄďCatalyzed 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 РDr. Giulio Volpin, Bayer AG  РWatch Now

13:30 Flexible Automation: A New Approach to Meet Evolving Challenges РProf. Jason Hein, University of British Columbia  РWatch 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 to register for free.

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