BEGIN:VCALENDAR VERSION:2.0 PRODID:-//CERN//INDICO//EN BEGIN:VEVENT SUMMARY:FHI-aims Developers' and Users' Meeting 2026 DTSTART:20260610T070000Z DTEND:20260612T160000Z DTSTAMP:20260414T190500Z UID:indico-event-18@events.ms1p.org CONTACT:d-and-u-2026@ms1p.org DESCRIPTION:\nELECTRONIC STRUCTURE THEORY WITH NUMERIC ATOM-CENTERED BASIS FUNCTIONS\nJune 10 – June 12\, 2026In-person participation\nat\nCenter for Free Electron Laser Science (CFEL)Luruper Chaussee 149\, 22761 Hamburg \nThis workshop will explore advanced methods in electronic structure deve lopment that are based on localized\, numeric atom-centered orbitals (NAOs ). NAO-based modeling is widely considered to be one of the most powerful approaches to studying molecules and materials from a first principles per spective. To advance the state of the art in this area\, the proposed meet ing will bring together key players from the FHI-aims code and related Eur opean and international efforts. Participants will have the opportunity to share their insights\, discuss emerging trends\, and collaborate on new r esearch initiatives.\nImportant Dates\n\n\n\nMarch 01\, 2026\nRegistration Opens\n\n\nMarch 31\, 2026\nRegistration Closes\n\n\nApril\, 2026\nAccept ance announcements\n\n\nJune 10\, 2026\nStart of the Conference\n\n\nJune 12\, 2026\nEnd of the Conference\n\n\n\nScope\nThe workshop will cover thr ee days and 24 invited talks\, as well as a poster session. Time will be r eserved in the afternoons for "Hands-On Discussions"\, providing dedicated time for the participants to split up into small groups to focus on topic s of specific interest ranging from methodological improvements all the wa y to code development questions related to specific subgroups of participa nts and joint programming sessions. Participants are also able to present their own work during the poster session.\nTopics covered are new developm ents in electronic structure theory with numeric atom-centered orbitals - including\, but not limited to:\n\nNumerical algorithms and new methods fo r NAOs\nTechnical advances in and scalability of electronic structure meth ods\nExternal libraries interfacing with FHI-aims\nRecent developments in advanced electronic properties\n\n \nConference Fee\nThe conference fee i ncludes conference costs\, lunch and coffee breaks during the workshop\, a n external group dinner\, and a poster party.\nThe total conference fee am ounts to 100 EUR.\nConfirmed Speakers\n\n\n\nXinguo Ren (Institute of Phys ics\, CAS\, China)\nApproaching the complete basis set limit in all-electr on RPA and GW calculations\n\n\nKrystof Brezina (MPSD\, Germany)\nTip-Enha nced Raman Images of Realistic Systems Through Ab Initio Modeling\n\n\nTob ias Henkes (University of Luxembourg\, Luxembourg)\naims-PAX: Achieving Pe ace of Mind through Efficient & Automated Construction of Machine Learning Force Fields\n\n\nHannah Bertschi (MPSD\, Germany)\nEhrenfest Dynamics fo r Weakly-Bound Complexes in FHI-aims\n\n\nElia Stocco (MPSD\, Germany)\nSc alable implementation of the Berry phase polarization with localized atomi c orbitals\n\n\nConnor Box (University of Cambridge\, UK)\nElectron–Phon on Coupling and Superconductivity in FHI-aims\n\n\nLydia Fichte (FHI\, Ger many)\nDFT+U+V: Ground State and Real-Time Dynamics\n\n\nChristoph Dähn ( FHI\, Germany)\nFantastic Polaronic Peaks and Where to Find Them: Learning Vibrational Spectra of a Disordered Energy Material\n\n\nChristian Carbog no (FHI\, Germany)\nBeyond Ion Dynamics: Efficient Charge Transport Simula tions including Electrons at Battery Scales\n\n\nMatthias Kick (FHI\, Germ any)\nLarge-Scale TDDFT for Finite and Periodic Systems\n\n\nThomas Purcel l (University of Arizona\, USA)\nUpdates to the FHI-aims Python Environmen ts\n\n\nSubhayan Roychoudhury (Avant-Garde Materials Simulation GmbH\, Ger many)\nMastering organic crystal structure prediction for the infamous ROY molecule using the PBE0' hybrid functional\n\n\nGabriel A. Bramley (Cardi ff University\, UK)\nRecent Advances in the EmbASI QM/QM Embedding Wrapper \n\n\nDanjo De Chavez (University of Warwick\, UK)\nFrozen Density Embeddi ng Strategy in Numeric Orbital DFT\n\n\nNoa Marom (Carnegie Mellon Univers ity\, USA)\nStructure Prediction of Organic/Inorganic Interfaces with Gena rris\n\n\nMin-Ye Zhang (Institute of Physics\, CAS\, China)\nAll-electron low-scaling GW for periodic systems: interface\, performance\, and applica tions\n\n\nJuhan Matthias Kahk (University of Tartu\, Estonia)\nScalable Δ-Self-Consistent-Field Calculations of Core Electron Binding Energies in Periodic and Aperiodic Systems\n\n\nMoritz Leucke (University of Würzbur g\, Germany)\nResolution-of-the-Identity with Domain Decomposition\n\n\nAn tonio Delesma (University of Würzburg\, Germany)\nA Low-Scaling RPA/GW Al gorithm Based on Separable Resolution-of-the-Identity\n\n\nRuiyi Zhou (ETH Zurich\, Switzerland)\nRecent Advances in Periodic BSE Calculations with Numeric Atom-Centered Orbitals\n\n\nVolker Blum (Duke University\, USA)\nS tate of FHI-aims\n\n\nYosuke Kanai (University of North Carolina at Chape l Hill\, USA)\nNew Developments with Nuclear-Electronic Orbital Method\n\n \nMaría Camarasa-Gómez (CFM Materials Physics Center\, Spain)\nAI-Assist ed Parameter Optimization in Density Functional Theory Calculations\n\n\nW entao Zhang (Duke University\, USA)\nA Large-scale Parallel Implementation of Quasi-Four-Component Relativistic Density Functional Theory with Numer ic Atom-centered Orbitals\n\n\n\nOrganized by\nMariana Rossi (MPSD\, Hambu rg\, Germany)\, Volker Blum (Duke University\, Durham\, USA)\, Andrew Logs dail (Cardiff University\, UK)\, Sebastian Kokott (MS1P e.V.\, Berlin\, Ge rmany)\, Konstantin Mok Lion (MS1P e.V.\, Berlin\, Germany)\n\n\nhttps://e vents.ms1p.org/event/18/ LOCATION:Center for Free Electron Laser Science (CFEL) URL:https://events.ms1p.org/event/18/ END:VEVENT END:VCALENDAR