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BEGIN:VEVENT
DTSTART;TZID=UTC:20250317T093000
DTEND;TZID=UTC:20250317T170000
DTSTAMP:20260413T092001
CREATED:20241204T141505Z
LAST-MODIFIED:20251113T153654Z
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SUMMARY:AIchemy Inaugural Annual Conference - March 2025
DESCRIPTION:KEY DETAILS\n\n\n\n\nDATE17 March\, 2025 TIME09:30 – 17:00 COST£25 \n\n\n\nREGISTRATION CLOSED\n\n\n\nREAD THE EVENT BLOG\n\n\n\n\n\n\nEVENT LOCATION\n\n\n\n\nMolecular Sciences Research Hub\, Imperial\, White City Campus82 Wood Lane\, London W12 0BZ \n\n\n\n\n\n\n\n\nOur inaugural conference aims to bring together experts across different scientific disciplines to explore and discuss the challenges and opportunities for AI in Chemistry. The conference will have short talks and panel discussions covering four key themes:  \n\n\n\n\nOptimisation\n\n\n\nGenerative AI / Large Language Models\n\n\n\nHuman in the Loop / Robotics\n\n\n\nAI tools for Chemistry\n\n\n\n\nWhy Attend?\n\n\n\n\nGain insights from leading experts in AI and Chemistry\n\n\n\nEngage in thought-provoking discussions\n\n\n\nNetwork with peers\, researchers\, and industry professionals\n\n\n\nPresent your research through poster presentations\n\n\n\nEnjoy a full day of learning\, collaboration\, and innovation\n\n\n\n\nRegistration & Tickets\n\n\n\nWe aim to make this event accessible to all. Tickets are available at a low price of £25\, covering the full day of talks\, panel discussions\, networking opportunities\, and refreshments. \n\n\n\nAgenda\n\n\n\n\n9:30 – 10:00Registration + Coffee10:00 – 10:15Introductions10:15 – 11:15Optimisation talks and panel discussion11:15 – 11:45Coffee break + networking11:45 – 12:45Generative AI / LLM talks and panel discussion12:45 – 13:45Lunch and networking13:45 – 14:45Human in the Loop / Robotics talks and panel discussion14:45 – 15:15Coffee break + networking15:15 – 16:15AI Tools for Chemistry talks and panel discussion16:15 – 16:45Responsible AI session16:45 – 17:00Wrap up + End17:00 – 18:00Networking Drinks\n\n\n\n\nJoin us for a day of AI innovation\, networking\, and inspiring talks by top experts in the field! \n\n\n\n\n\nSpeakers\n\n\n\n\nAndrew Fowler\, Senior Researcher\, Microsoft Research\n\n\n\nGabriella Pizzuto\, Lecturer (Assistant Professor) in Robotics and Chemistry Automation\, University of Liverpool.\n\n\n\nGerit Brandenburg\, Head of Digital Chemistry\, Merck Group\n\n\n\nJames Gin-Pollock\, Co-Founder & CTO\, Orbital Materials\n\n\n\nJeyan Thiyagalingam\, Head of AI for Science – Scientific Computing Department\, Rutherford Appleton Laboratory\, Science and Technology Facilities Council (STFC-RAL)\n\n\n\nLuis Figueredo\, Assistant Professor\, School of Computer Science\, University of Nottingham\n\n\n\nKenji Takeda\, Director of Research Incubations\, Microsoft Research\n\n\n\nKevin Jablonka\, Principal Investigator\, Helmholtz Institute for Polymers in Energy Applications Jena\n\n\n\nRichard Bourne\, Professor of Digital Chemical Engineering\, University of Leeds\n\n\n\nRob Palgrave\, Professor of Inorganic and Materials Chemistry\, University College London\n\n\n\nRuth Misener\, Professor in the Computational Optimisation\, Imperial College London\n\n\n\nSam Cooper\, Reader (Associate professor) in Machine Learning for Materials Design\, Imperial College London\n\n\n\nSophia Yaliraki\, Professor of Theoretical Chemistry\, Imperial College London\n\n\n\nYulan He\, Professor at the Department of Informatics\, King’s College London\n\n\n\n\nPoster presentations \n\n\n\nAbstracts are welcome for poster presentations\, these should include the title\, author names and affiliations\, and a description of the research you wish to present – abstracts should be no more than one page of A4 in length. Please mark on your registration form if you wish to present a poster and submit your abstract to info@aichemy.ac.uk by Friday 28 February 2025. You will be notified if your poster has been accepted
URL:https://aichemy.ac.uk/event/aichemy-annual-conference/
LOCATION:Molecular Sciences Research Hub\, 82 Wood Lane\, London\, London\, W12 0BZ\, United Kingdom
CATEGORIES:Conference
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DTSTART;TZID=UTC:20250319T140000
DTEND;TZID=UTC:20250319T150000
DTSTAMP:20260413T092002
CREATED:20250129T152853Z
LAST-MODIFIED:20250603T152338Z
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SUMMARY:AIchemy’s Monthly Webinar Series – March 2025
DESCRIPTION:KEY DETAILS\n\n\n\n\nDATE19 March\, 2025 TIME14:00 – 15:00 COSTFree \n\n\n\nREGISTRATION CLOSED\n\n\n\n\n\n\nRECORDINGSClick the YouTube links below to watch each session. \n\n\n\n\nHigh-throughput robotic chemical titration using computer vision Teaching Language Models to SpeChemistry: From Design to Synthesis \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\nYuan Li – High-throughput robotic chemical titration using computer vision. \n\n\n\nA high-throughput (HTE) robotic titration workstation was developed using a commercial liquid handling robot (Opentrons OT-2) and computer vision-based analysis. While designed for multiple titration applications\, hydrogen peroxide(H2O2) determination serves as the most elaborate and well-characterized demonstration of its capabilities. To monitor the colour change(from colourless to pale pink)\, a webcam was installed on the OT-2 pipette mount\, capturing real-time titration progress. Image analysis was enhanced through VGG-augmented UNet  for segmentation and the CIELab colour model \, ensuring robust and reproducible detection of subtle colour changes. The sensitivity test of the computer vision-aided colour analysis was strongly correlated to UV-Vis spectroscopy (R2 = 0.9996)\, with a good linear dynamic range at low concentrations. The analytical accuracy of this workstation was ± 11.9% in a 95% confidence interval and its corresponding absolute concentration difference was only 0.50 mM. To validate its real-world applicability\, this workstation was first deployed to monitor the photoproduction of H2O2 over a conjugated polymer photocatalyst\, DE7.  In addition to performing redox titrations\, we demonstrated that the workstation can also be used for acid-base titration and complexometric titration\, capturing a diverse range of colour changes too.   \n\n\n\nProf. Philippe Schwaller – Teaching Language Models to Speak Chemistry: From Design to Synthesis \n\n\n\nArtificial Intelligence is transforming how we approach chemical research and synthesis. By teaching language models to understand and generate the language of chemistry\, we have developed complementary AI systems that bridge the gap between computational design and experimental reality. Our large language model system\, ChemCrow\, represents one of the first demonstrations of an AI system directly controlling robotic synthesis platforms\, successfully executing the synthesis of compounds including organocatalysts and chromophores. Complementing this\, our small language model system\, Saturn\, currently the most sample-efficient molecular design algorithm\, enables precise molecular generation with built-in synthesizability constraints. Saturn’s innovations include direct optimization against retrosynthetic predictions and integration of building block availability\, ensuring that generated molecules are practically accessible. Our work demonstrates how different scales of language models can work together to transform chemical research\, from initial molecular design through to physical synthesis\, potentially revolutionizing drug discovery\, catalysis\, and materials development. \n\n\n\nFollowing the presentations\, there will be time for questions from the audience. \n\n\n\n\n\nSpeakers\n\n\n\n\n\nYuan LiPhD student\n\n\n\n\n\nPhilippe SchwallerAssistant Professor \n\n\n\n\n\nGabriella Pizzuto – Webinar Chair Lecturer (Assistant Professor)
URL:https://aichemy.ac.uk/event/aichemys-monthly-webinar-series-march-2025/
CATEGORIES:Webinar
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