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DTSTART;TZID=UTC:20261021T140000
DTEND;TZID=UTC:20261021T150000
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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
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BEGIN:VEVENT
DTSTART;TZID=UTC:20261118T140000
DTEND;TZID=UTC:20261118T150000
DTSTAMP:20260911T125340Z
CREATED:20260911T124549Z
LAST-MODIFIED:20260911T125340Z
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SUMMARY:AIchemy’s Monthly Webinar Series – November 2026
DESCRIPTION:KEY DETAILS\n\n\n\n\nDATE18th November 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\nAsst. Prof. Varinia Bernales – University of Toronto \n\n\n\nTalk Title: TBC \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. Varinia Bernales Assistant Professor | Research Director\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-november-2026/
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DTSTART;TZID=UTC:20261123T000000
DTEND;TZID=UTC:20261127T235959
DTSTAMP:20260825T072613Z
CREATED:20260220T124659Z
LAST-MODIFIED:20260825T072613Z
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SUMMARY:Winter School: Robotics and AI for Materials Chemistry 2026
DESCRIPTION:KEY DETAILS\n\n\n\n\nDATE23 – 27 NOVEMBER 26 ACADEMIC PARTICIPANTS£150 INDUSTRY PARTICIPANTS£300 \n\n\n\nAPPLications closed\n\n\n\n agenda COMING SOON\n\n\n\n\n\n\nEVENT LOCATION\n\n\n\n\nNovotel Hotel\, University of Liverpool Campus3 Paddington Village\, Liverpool\, L69 7ZD \n\n\n\n\n\n\n\n\n\n\n\n\nThe Robotics and AI for Materials Chemistry Winter School is a five-day intensive training programme focused on digital and automated chemistry\, robotic systems\, and AI-driven scientific discovery. Hosted at the University of Liverpool\, the school is designed for PhD students and early-career researchers\, or those new to digital chemistry and AI\, and who want to build their capabilities in this rapidly evolving field. A strong working knowledge of Python is required to fully benefit from the practical sessions and technical content. \n\n\n\nThis Robotics and AI for Materials Chemistry Winter School will: \n\n\n\n\nProvide essential skills in digital chemistry\n\n\n\nStrengthen understanding of AI and machine learning\, building on participants’ existing knowledge\n\n\n\nOffer hands-on experience with key tools and techniques for automated\, intelligent lab environments\n\n\n\n\nParticipants will explore a range of cutting-edge topics\, including: \n\n\n\n\nDigital twins for robotic chemists\n\n\n\nBayesian optimisation for chemical discovery\n\n\n\nAI-driven robotic chemists\n\n\n\nRobotic manipulation for lab automation\n\n\n\nSimulation of robotic chemists\n\n\n\nComputer vision-led chemistry\n\n\n\nMulti-modal machine learning for science\n\n\n\nAgentic AI-based discovery\n\n\n\nHuman-in-the-loop robotic discovery\n\n\n\n\nAfter a hugely successful 2025 Winter School\, we’re delighted to bring it back for 2026. Take a look at last year’s programme and highlights to see what to expect. \n\n\n\nHow to Apply:\n\n\n\nPlaces are limited and to ensure a balanced mix of expertise and perspectives we are asking applicants to apply. As demand is expected to be high\, we ask all interested participants to complete the application form by 24th August 2026 and decisions will be given to applicants by 31st August 2026. \n\n\n\nPlease note: all bookings are non-refundable. \n\n\n\n\n\nProvisional Programme – Coming Soon\n\n\n\n\n\nSpeakers – More to be announced\n\n\n\n\n\nProf. Michael MistryUniversity of Edinburgh\n\n\n\n\n\nDr. Lauren Ye SeolUniversity College London\n\n\n\n\n\nProf. Andi ZhangUniversity of Warwick\n\n\n\n\n\nDr. Chenghao LiuCaltech\n\n\n\n\n\n\n\nAlexandra GessnerAstraZeneca\n\n\n\n\n\nProf. Simos GerasimouUniversity of York\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\nAccommodation and Travel\n\n\n\nPlease note that the registration fee does not include accommodation\, travel or subsistence. Participants are responsible for arranging their own accommodation and transport during the Winter School. \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\nA social networking event will be hosted on one evening during the school and is included in the registration. \n\n\n\nFor those seeking alternative options\, Liverpool offers a wide range of hotels\, serviced apartments\, and budget accommodations within easy reach of the University. \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 and the recommended hotel. \n\n\n\nAirports:\n\n\n\n\nLiverpool John Lennon Airport (LPL) – Around 30 minutes from the University by taxi or public transport. The airport offers flights to many UK and European destinations.\n\n\n\nManchester Airport (MAN) – Around 1 hour by train or car\, with direct rail connections to Liverpool Lime Street. This airport provides a wide range of international flight options.\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\n\n\n\nThe Organising Committee:\n\n\n\nAlchemy HubUniversity of LiverpoolDr. Ben Alston (University of Liverpool) Caroline Woods (University of Liverpool)Dr Gabriella PizzutoDr Xenofon EvangelopoulosProf. Alessandro TroisiMinh CaoDr Mengjia ZhuDr Xin Yang
URL:https://aichemy.ac.uk/event/winter-school-robotics-and-ai-for-materials-chemistry-2026/
CATEGORIES:Training School
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BEGIN:VEVENT
DTSTART;TZID=UTC:20261209T140000
DTEND;TZID=UTC:20261209T150000
DTSTAMP:20260911T131427Z
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SUMMARY:AIchemy’s Monthly Webinar Series – December 2026
DESCRIPTION:KEY DETAILS\n\n\n\n\nDATE9th December 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\nProf. Matthew Sigman – University of Utah \n\n\n\nTalk Title: TBC \n\n\n\nDr. Ben Honore – Imperial College London \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\nProf. Matthew SigmanMedicinal Chemistry\n\n\n\n\n\nDr. Ben HonorePostdoctoral 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-december-2026/
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DTSTART;TZID=UTC:20270106T000000
DTEND;TZID=UTC:20270109T143000
DTSTAMP:20261009T095257Z
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SUMMARY:Computational Methods for Defects in Solids Workshop
DESCRIPTION:KEY DETAILS\n\n\n\n\nSTART DATE/TIME6 January 12:00 END DATE/TIME8 January 14:30  COST£195 standard registration | £90/night college accommodation (limited places) REGISTRATION DEADLINE16 December 2026 (earlier if capacity reached). \n\n\n\nRegister Now \n\n\n\nAgenda (coming soon)\n\n\n\n\n\n\nEVENT LOCATION\n\n\n\n\nBMS Lecture Theatre\, Yusuf Hamied Department of Chemistry\, University of CambridgeLensfield Road\, Cambridge CB2 1EW\, United Kingdom. \n\n\n\nGoogle Maps Here\n\n\n\n\n\n\n\n\nOverview\n\n\n\nThis three-day workshop will gather established experts and early-career researchers for a focused discussion of the latest theoretical and computational advances for the modelling of defects in solids. Areas of interest include point and extended defects across bulk and low-dimensional solids\, AI/ML techniques for defect simulations\, dynamic defect processes\, many-body effects and excited states\, as well as pertinent challenges for advancing the field. \n\n\n\nA core goal of this workshop is to facilitate deep and insightful discussions\, aiming to establish crucial challenges and the near-term outlook for computational defect research\, strengthen collaboration in this growing worldwide community\, and impart a broad understanding of the state of the field for early-stage researchers. To achieve this\, we will favour shorter presentation slots with extended question and discussion time\, round-table panel discussions with all session speakers\, and dedicated question time for early-career researchers (ECRs). \n\n\n\nInvited keynote talks from internationally recognised leaders will set the stage at the beginning of each session\, followed by contributed talks and discussion. Two poster sessions with refreshments will be held on the first two evenings\, and the workshop dinner will take place in a historic Cambridge college hall on the second evening. All talks and discussions will be recorded and\, where speakers consent\, shared online after the workshop. \n\n\n\nKey topics\n\n\n\n\nComputational software for defect modelling — with a particular focus on challenges\, reproducibility and future outlook.\n\n\n\nTheoretical and methodological advances — machine-learning approaches (machine-learned potentials\, informatics and agentic AI methods)\, high-throughput studies\, and embedding & beyond-DFT methods.\n\n\n\nApplications and case studies — including energy conversion\, catalysis\, quantum information and conductivity.\n\n\n\nChallenges at the cutting edge — defect databases for AI/ML\, charge featurisation for machine-learned potentials\, extended defects\, dynamic processes and excited states.\n\n\n\n\n\n\n\n\nWhy attend?\n\n\n\n\nHear about the state of the art in defect modelling from international leaders\, with extended discussion built into every session.\n\n\n\nPresent your own work — contributed talk slots and two dedicated poster sessions\, with active participation from all attendees.\n\n\n\nDiscussion-first format: round-table panels after each session\, engaging poster sessions and dinner in a historic Cambridge college hall.\n\n\n\nBuild collaborations across the worldwide computational defects community\, in one place at one time.\n\n\n\nAffordable: subsidised registration includes all lunches\, coffee breaks\, poster receptions and the college-hall workshop dinner\, with optional low-cost college accommodation.\n\n\n\n\nWho should attend\n\n\n\nPhD students\, postdoctoral researchers\, academics and industry scientists working on (or moving into) the simulation of defects in materials; from method and software developers to those applying defect calculations in solid-state materials for energy\, catalysis\, quantum technologies and beyond. Experimentalists who want a working understanding of what modern defect simulations can (and cannot) deliver are also very welcome. \n\n\n\n\n\nSpeakers\n\n\n\n\n\nProf. Sir Richard Catlow \n\n\n\n\n\nDr. Joel Davidsson\n\n\n\n\n\nDr. Irea Mosquera-Lois\n\n\n\n\n\nProf. Elif Ertekin\n\n\n\n\n\nDr. Menglin Huang\n\n\n\n\n\nDr. Katherine Inzani \n\n\n\n\n\n\n\nProf. Arkady V. Krasheninnikov \n\n\n\n\n\nProf. David Scanlon\n\n\n\n\n\nProf. Alex Shluger\n\n\n\n\n\nDr. Gergo Thiering\n\n\n\n\n\nDr. Mark Turiansky\n\n\n\n\n\nProf. Julia Wiktor \n\n\n\n\n\n\n\n\n\nSpeakerAffiliationTalk titleProf. Sir Richard CatlowUniversity College London and Cardiff UniversityA Historical Perspective on Defect ModellingDr. Joel DavidssonLinköping University\, SwedenData-Driven Exploration of Point Defects for Quantum TechnologiesDr. Irea Mosquera-LoisCuspAI\, London\, UKMachine learning for modelling defects under operating conditionsProf. Elif ErtekinUniversity of Illinois Urbana-Champaign\, USABeyond Isolated Defects: Predicting Configurations\, Dopability\, and Carrier Concentrations in Disordered MaterialsDr. Menglin HuangFudan University\, ChinaMachine-Learning Approaches for Multiphonon Transitions at DefectsDr. Katherine InzaniUniversity of Nottingham\, UKModelling Spin-Based Defects in Solids: From Electronic Structure to QubitsProf. Arkady V. KrasheninnikovHelmholtz-Zentrum Dresden-Rossendorf\, GermanyPoint and extended defects in 2D materials: insights from multi-scale atomistic calculationsProf. David ScanlonUniversity of Birmingham\, UKStructure searching for low energy defectsProf. Alexander ShlugerUniversity College London\, UKDefects in amorphous solids — do they exist and how to find themDr. Gergo ThieringWigner Research Centre for Physics\, HungaryAb-initio theory of orbital and phonon-driven relaxation pathways in quantum defects of semiconductorsDr. Mark TurianskyU.S. Naval Research Laboratory\, USAUnderstanding how defects interact with the latticeProf. Julia WiktorChalmers University of Technology\, SwedenTowards Realistic Modelling of Charge Localization in Solids\n\n\n\n\n\nRegistration & fees\n\n\n\n\nStandard registration – £195: includes attendance at all sessions\, lunches\, coffee breaks\, both catered poster sessions and the workshop formal dinner  at Jesus College\, Cambridge.\n\n\n\nCollege accommodation – £90/night: En-suite bed & breakfast accommodation at a Cambridge college. Places limited and allocated first-come\, first-served.\n\n\n\nBookings now open and close Wednesday 16 December 2026.\n\n\n\n\nAbstract submission\n\n\n\nWe welcome abstracts for contributed talks (15 minutes) and posters from all career stages; early-career researchers are particularly encouraged to submit. \n\n\n\nContributed Talk Abstract Deadline – Monday 23rd November 2026 (decisions by Monday 30th November) \n\n\n\nPoster Submission Deadline same as Registration Deadline – Wednesday 16th December 2026. \n\n\n\nAbstract Submission Online Form\n\n\n\n\n\nAccommodation & travel\n\n\n\n\nThe workshop is held before the start of the university teaching term\, allowing us to offer discounted college accommodation (single en-suite\, bed & breakfast). Places are limited\, so book early!\n\n\n\nPlenty of hotel and guesthouse options are also available in/near Cambridge city centre\, within walking distance of the venue.\n\n\n\nGetting to Cambridge: direct trains from London King’s Cross (~50 min) and London Liverpool Street; ~30 min by train or taxi from London Stansted Airport. The department is a ~15-minute walk (or short taxi/bus ride) from Cambridge train station.\n\n\n\n\nInclusion\, bursaries & code of conduct\n\n\n\n\nA limited number of registration fee waivers (for researchers from disadvantaged institutions) and childcare support bursaries will be available. Please contact the organisers at sk2045@cam.ac.uk to register interest in this.\n\n\n\nAll participants will be expected to follow the event code of conduct – AIchemy code of conduct\n\n\n\nTalks and discussions will be recorded; recordings will be shared online only where speakers consent. Please contact the organisers if you do not consent to this\, or if you have any accessibility requirements we should be aware of – the venue has step-free access.\n\n\n\n\n\n\nThe Organising Committee:\n\n\n\nOrganiserAffiliationDr. Seán Kavanagh (lead) Yusuf Hamied Department of Chemistry\, University of CambridgeProf. Keith McKenna Department of Physics\, University of YorkDr. Alexander SquiresCuspAI\, Cambridge\, UKProf. Samuel MurphySchool of Engineering\, Lancaster University\n\n\n\nWith administrative and event support from the AIchemy Hub team (Aysel Sarzosa and Chris Mellor).  \n\n\n\nFor questions related to this event please contact Dr. Seán Kavanagh.  \n\n\n\nSponsors:\n\n\n\nThis workshop is generously supported by Psi-k\, AIchemy\, and the UK Materials Chemistry Consortium (MCC)\, and co-organised with the Lennard Jones Centre (LJC) at Cambridge.
URL:https://aichemy.ac.uk/event/computational-methods-for-defects-in-solids-workshop/
CATEGORIES:Workshop
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