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DTSTART;TZID=UTC:20260617T140000
DTEND;TZID=UTC:20260617T150000
DTSTAMP:20260611T121841
CREATED:20260601T105940Z
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SUMMARY:AIchemy’s Monthly Webinar Series – June 2026
DESCRIPTION:KEY DETAILS\n\n\n\n\nDATE17th June 2026 TIME14:00 – 15:00 COSTFree LOCATIONOnline MS Teams \n\n\n\nREGISTER HERE\n\n\n\n\n\n\n\n\nWe are delighted to welcome you to our AIchemy Hub’s monthly webinar series. \n\n\n\nThis month’s talks: \n\n\n\nAssoc. Prof. Timonthy Cernak – University of Michigan \n\n\n\nTalk Title: Combinatorial explosion: from atom-bond arrangements to exotic diseases \n\n\n\nChemical synthesis and data science are two fields that operate in synergy. Molecules and the routes to synthesize them are easily represented as graphs while automated chemical synthesis strategies allow more and more synthesis data to be captured\, for instance to feed machine learning algorithms. This talk will detail our work in this area focused on a new class of amine-acid cross coupling reactions\, and the computer-assisted synthesis of drugs and natural products. We have been exploring the breadth of all reactions that could exist\, navigating combinatorial explosions of virtual and plausible reaction methods\, routes to complex molecules\, and the interconnectedness of reaction conditions\, transformations\, and biological functions. \n\n\n\nOur agnostic view of reactions and their mechanisms has recently extended to diseases\, with a focus on One Health. We aspire to produce medicines and treatments for health challenges in endangered species. We call this new area conservation chemistry\, and examples from the frontlines of this field and lab-based research will be shared. \n\n\n\nSimone Gallarati – University of Utah \n\n\n\nTalk Title: Enabling data-efficient strategies for asymmetric reaction optimization and ligand discovery \n\n\n\nIn order to optimize an asymmetric reaction\, machine learning (ML) models are frequently implemented to screen virtual libraries of chiral catalysts and identify candidates with superior performance. Unfortunately\, such models are often poorly transferable to new reactions involving a different combination of known substrate types or an entirely unfamiliar class of compounds. In this talk\, I will first introduce a descriptor generation strategy that accounts for possible changes in a reaction’s stereodetermining step with catalyst or substrate identity\, allowing us to model mechanistically complex transformations involving distinct ligand and substrate types. Our ML workflow has led to the optimization of poorly performing examples reported in a substrate scope and to accurate out-of-sample predictions on unseen ligand and reaction partners.1 \n\n\n\nOne limitation of inference-based ML models is the need for large virtual libraries of potential catalysts\, whose curation is frequently associated with significant computational costs. In the second part of the talk\, I will introduce a genetic algorithm-based pipeline2 whereby only a small population of ligands is computed and evaluated experimentally at each iteration of the optimization loop. This strategy leverages the modularity of catalyst scaffolds and is compatible with early reaction optimization campaigns\, requiring the featurization and synthesis of only small batches of ligands. Overall\, these workflows enable streamlined reaction development\, quantitatively transferring knowledge learned on sparse data sets to novel chemical spaces. \n\n\n\nReferences \n\n\n\n(1) Gallarati\, S.; Bucci\, E. M.; Doyle\, A. G.; Sigman\, M. S. Transferable Enantioselectivity Models from Sparse Data. Nature 2026\, 651\, 637–646. \n\n\n\n(2) Gallarati\, S.; van Gerwen\, P.; Schoepfer\, A. A.; Laplaza\, R.; Corminboeuf\, C. Genetic Algorithms for the Discovery of Homogeneous Catalysts. CHIMIA 2023\, 77 (1/2)\, 39.Following the presentations\, there will be time for questions from the audience. \n\n\n\n\n\nSpeakers\n\n\n\n\n\nAssoc. Prof. Timonthy CernakMedicinal Chemistry\n\n\n\n\n\nSimone Gallarati Postdoctoral researcher\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\nSpeaker Nominations\n\n\n\nWe welcome suggestions from the community for both our main speaker talks and Early Career Researcher talks (ECR – defined as late-stage PhD or postdocs). The aim of these webinars is to cover a range of topics in digital chemistry\, including general purpose robotic systems\, high-throughput automation\, closed-loop and human-in-the-loop workflows\, generative AI\, multi-fidelity AI\, reinforcement learning\, and optimisation (this is not an exhaustive list).Please fill out the form below to suggest or nominate potential speakers. Self-nominations are also encouraged. \n\n\n\nNominate a speaker
URL:https://aichemy.ac.uk/event/aichemys-monthly-webinar-series-june-2026/
CATEGORIES:Webinar
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DTSTART;TZID=UTC:20260618T170000
DTEND;TZID=UTC:20260618T210000
DTSTAMP:20260611T121841
CREATED:20260407T072353Z
LAST-MODIFIED:20260528T140147Z
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SUMMARY:Science in the City: An Evening of AI
DESCRIPTION:KEY DETAILS\n\n\n\n\nDATE18 JUNE 2026 TIME17:00 – 21:00 COSTFREE \n\n\n\nbook now\n\n\n\n\n\n\nEVENT LOCATION\n\n\n\n\nTHE SPINE BUILDING2 Paddington Village\, Liverpool L7 3FA \n\n\n\n\n\n\n\n\nStep into the world of AI and see how it’s shaping science\, healthcare\, and innovation across Liverpool and the UK. From groundbreaking research at the University of Liverpool to real-world applications in our city region\, this event brings science to life for a community that takes pride in Liverpool’s innovation\, collaboration\, and world-class research. Meet researchers and take part in discussions with experts\, ask your questions\, share your ideas\, and see how AI is being used responsibly to make a positive impact. This event is open to everyone\, whether you’re a researcher\, city resident\, alumni or just curious about how AI is shaping the future. Enjoy a welcoming reception before and after the event\, the perfect time to meet fellow attendees\, spark conversations\, and celebrate Liverpool’s thriving research community.Please Note: Registration to this event is essential \n\n\n\n\n\n\n\nWhat you’ll gain: \n\n\n\n\nExplore how AI is driving breakthroughs in science.\n\n\n\nEngage directly with experts in Q&A sessions.\n\n\n\nCelebrate and support our city’s research excellence.\n\n\n\n\nNo prior experience in AI is required\, just curiosity and a desire to be part of the talent\, dedication\, and pride that Liverpool brings to the forefront of scientific discovery. \n\n\n\n\n\n\n\nEvening Programme: \n\n\n\n5:00 – 6:00pm | Arrival & Welcome ReceptionJoin us for a relaxed welcome with refreshments. Meet fellow attendees and start the conversation in an informal setting overlooking Liverpool’s vibrant skyline.6:00 – 8:00pm | AI Across the Sciences – Speaker Sessions & DiscussionHear from leading voices in AI and scientific research as they explore how artificial intelligence is advancing materials chemistry\, drug discovery\, healthcare\, and more. Each session will include opportunities for questions and audience interaction.8:00 – 9:00pm | Conversations & Community ReceptionContinue the discussion over refreshments. Connect with researchers\, alumni\, and partners\, and be part of the growing AI and science community shaping Liverpool’s future. \n\n\n\n\n\nSpeakers\n\n\n\n\n\nProfessor Andy CooperUniversity of Liverpool\n\n\n\n\n\nProfessor Katie AtkinsonUniversity of Liverpool\n\n\n\n\n\nDr Alex BattyClatterbridge Cancer Centre\n\n\n\n\n\nDr Gabriella PizzutoUniversity of Liverpool\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\nAccommodation and Travel\n\n\n\nWe are happy to recommend the Novotel Liverpool Paddington Village\, a modern hotel conveniently located within walking distance of the University of Liverpool campus. This hotel offers comfortable rooms\, breakfast options and easy access to local amenities. \n\n\n\nLiverpool is well-connected by rail\, with Liverpool Lime Street Station approximately a 10-minute walk from the University campus. For those travelling by car\, parking is available at the Paddington Village Car Park\, located close to the University\, The Spine Building and the recommended hotel. \n\n\n\n\n\n\n\n\n\n\n\n\n\nContact Details\n\n\n\nFor questions related to this event please contact the AIchemy project management team at info@aichemy.ac.uk \n\n\n\n\n\nThe Organising Committee\n\n\n\nAIchemy HubDr Ben Alston (University of Liverpool) Caroline Woods (University of Liverpool)
URL:https://aichemy.ac.uk/event/science-in-the-city-an-evening-of-ai/
CATEGORIES:Symposium
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