BEGIN:VCALENDAR
VERSION:2.0
PRODID:-//aichemy - ECPv6.18.0//NONSGML v1.0//EN
CALSCALE:GREGORIAN
METHOD:PUBLISH
X-ORIGINAL-URL:https://aichemy.ac.uk
X-WR-CALDESC:Events for aichemy
REFRESH-INTERVAL;VALUE=DURATION:PT1H
X-Robots-Tag:noindex
X-PUBLISHED-TTL:PT1H
BEGIN:VTIMEZONE
TZID:UTC
BEGIN:STANDARD
TZOFFSETFROM:+0000
TZOFFSETTO:+0000
TZNAME:UTC
DTSTART:20250101T000000
END:STANDARD
END:VTIMEZONE
BEGIN:VEVENT
DTSTART;TZID=UTC:20261021T140000
DTEND;TZID=UTC:20261021T150000
DTSTAMP:20260911T130521Z
CREATED:20260911T121034Z
LAST-MODIFIED:20260911T130521Z
UID:13777-1792591200-1792594800@aichemy.ac.uk
SUMMARY:AIchemy’s Monthly Webinar Series – October 2026
DESCRIPTION:KEY DETAILS\n\n\n\n\nDATE21st October 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\nAssistant Prof. Dr. Esther Heid – TU Wien \n\n\n\nTalk Title: Flow Matching for Chemical Reaction Modeling \n\n\n\nMachine learning has become a powerful tool for predicting and designing molecular properties\, materials\, and chemical reactions. While traditional quantum chemical methods provide accurate transition states and reaction barriers\, they remain computationally prohibitive for high-throughput applications. Recent advances in generative modeling\, particularly flow matching\, offer a promising alternative\, enabling rapid prediction of three-dimensional molecular geometries or transition state structures from simple graph inputs. In this talk\, I will present our work on applying flow matching to multiple challenges in reaction modeling: generating transition state geometries\, predicting reaction barrier heights\, steering outputs to satisfy geometric constraints like chirality\, and extending these methods to excited-state chemistry. I will discuss how these approaches achieve orders-of-magnitude speedups while maintaining near-quantum-chemical accuracy\, and evaluate their practical impact when embedded in automated library generation pipelines with or without continuous learning strategies. \n\n\n\nECR Speaker: TBC \n\n\n\nTalk Title: TBC \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\nAsst. Prof. Esther HeidAssistant Professor for Machine Learning for Sustainable Chemistry\n\n\n\n\n\nECR Speaker:TBC \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-october-2026/
CATEGORIES:Webinar
ATTACH;FMTTYPE=image/png:https://aichemy.ac.uk/wp-content/uploads/2026/09/Webinar-Oct-2026.png
END:VEVENT
END:VCALENDAR