BEGIN:VCALENDAR VERSION:2.0 PRODID:-//CERN//INDICO//EN BEGIN:VEVENT SUMMARY:FHI-aims Developers' and Users' Meeting 2026 DTSTART:20260610T070000Z DTEND:20260612T160000Z DTSTAMP:20260915T154200Z 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\nMax Pla nck Institut for the Structure and Dynamics of Matter (MPSD)Rooms 131+136\ , Building 900Luruper Chaussee 149\, 22761 Hamburg\nThis workshop will exp lore advanced methods in electronic structure development that are based o n localized\, numeric atom-centered orbitals (NAOs). NAO-based modeling is widely considered to be one of the most powerful approaches to studying m olecules and materials from a first principles perspective. To advance the state of the art in this area\, the proposed meeting will bring together key players from the FHI-aims code and related European and international efforts. Participants will have the opportunity to share their insights\, discuss emerging trends\, and collaborate on new research initiatives.\nIm portant Dates\n\n\n\nMarch 01\, 2026\nRegistration Opens\n\n\nMarch 31\, 2 026\nRegistration Closes\n\n\nApril\, 2026\nAcceptance announcements\n\n\n June 10\, 2026\nStart of the Conference\n\n\nJune 12\, 2026\nEnd of the Co nference\n\n\n\nScope\nThe workshop will cover three days and 24 invited t alks\, as well as a poster session. Time will be reserved in the afternoon s for "Hands-On Discussions"\, providing dedicated time for the participan ts to split up into small groups to focus on topics of specific interest r anging from methodological improvements all the way to code development qu estions related to specific subgroups of participants and joint programmin g sessions. Participants are also able to present their own work during th e poster session.\nTopics covered are new developments in electronic struc ture theory with numeric atom-centered orbitals - including\, but not limi ted to:\n\nNumerical algorithms and new methods for NAOs\nTechnical advanc es in and scalability of electronic structure methods\nExternal libraries interfacing with FHI-aims\nRecent developments in advanced electronic prop erties\n\n \nConference Fee\nThe conference fee includes conference costs \, lunch and coffee breaks during the workshop\, an external group dinner\ , and a poster party.\nThe total conference fee amounts to 100 EUR.\nConfi rmed Speakers\n\n\n\nXinguo Ren (Institute of Physics\, CAS\, China)\nRPA Correlation Energy at The Complete Basis Set Limit\n\n\nKrystof Brezina (M PSD\, Germany)\nTip-Enhanced Raman Images of Realistic Systems Through Ab Initio Modeling\n\n\nTobias Henkes (University of Luxembourg\, Luxembourg) \naims-PAX: Achieving Peace of Mind through Efficient & Automated Construc tion of Machine Learning Force Fields\n\n\nHannah Bertschi (MPSD\, Germany )\nEhrenfest Dynamics for Weakly-Bound Complexes in FHI-aims\n\n\nElia Sto cco (MPSD\, Germany)\nScalable implementation of the Berry phase polarizat ion with localized atomic orbitals\n\n\nConnor Box (University of Cambridg e\, UK)\nElectron–Phonon Coupling and Superconductivity in FHI-aims\n\n\ nLydia Fichte (FHI\, Germany)\nDFT+U+V: Ground State and Real-Time Dynamic s\n\n\nChristoph Dähn (FHI\, Germany)\nFantastic Polaronic Peaks and Wher e to Find Them: Learning Vibrational Spectra of a Disordered Energy Materi al\n\n\nChristian Carbogno (FHI\, Germany)\nBeyond Ion Dynamics: Efficient Charge Transport Simulations including Electrons at Battery Scales\n\n\nM atthias Kick (FHI\, Germany)\nLarge-Scale TDDFT for Finite and Periodic Sy stems\n\n\nThomas Purcell (University of Arizona\, USA)\nUpdates to the FH I-aims Python Environments\n\n\nSubhayan Roychoudhury (Avant-Garde Materia ls Simulation GmbH\, Germany)\nMastering organic crystal structure predict ion for the infamous ROY molecule using the PBE0' hybrid functional\n\n\nG abriel A. Bramley (Cardiff University\, UK)\nRecent Advances in the EmbASI QM/QM Embedding Wrapper\n\n\nDanjo De Chavez (University of Warwick\, UK) \nFrozen Density Embedding Strategy in Numeric Orbital DFT\n\n\nNoa Marom (Carnegie Mellon University\, USA)\nStructure Prediction of Organic/Inorga nic Interfaces with Genarris\n\n\nMin-Ye Zhang (Institute of Physics\, CAS \, China)\nAll-electron low-scaling GW for periodic systems: interface\, p erformance\, and applications\n\n\nJuhan Matthias Kahk (University of Tart u\, Estonia)\nScalable Δ-Self-Consistent-Field Calculations of Core Elect ron Binding Energies in Periodic and Aperiodic Systems\n\n\nMoritz Leucke (University of Würzburg\, Germany)\nResolution-of-the-Identity with Domai n Decomposition\n\n\nAntonio Delesma (University of Würzburg\, Germany)\n A Low-Scaling RPA/GW Algorithm Based on Separable Resolution-of-the-Identi ty\n\n\nRuiyi Zhou (ETH Zurich\, Switzerland)\nRecent Advances in Periodic BSE Calculations with Numeric Atom-Centered Orbitals\n\n\nVolker Blum (Du ke University\, USA)\nState of FHI-aims\n\n\nYosuke Kanai (University of North Carolina at Chapel Hill\, USA)\nNew Developments with Nuclear-Electr onic Orbital Method\n\n\nMaría Camarasa-Gómez (CFM Materials Physics Cen ter\, Spain)\nAI-Assisted Parameter Optimization in Density Functional The ory Calculations\n\n\nWentao Zhang (Duke University\, USA)\nA Large-scale Parallel Implementation of Quasi-Four-Component Relativistic Density Funct ional Theory with Numeric Atom-centered Orbitals\n\n\n\nOrganized by\nMari ana Rossi (MPSD\, Hamburg\, Germany)\, Anna Lutz (MS1P e.V.\, Berlin\, Ger many)\, Volker Blum (Duke University\, Durham\, USA)\, Andrew Logsdail (Ca rdiff University\, UK)\, Sebastian Kokott (MS1P e.V.\, Berlin\, Germany)\, Konstantin Mok Lion (MS1P e.V.\, Berlin\, Germany)\n\n\nhttps://events.ms 1p.org/event/18/ LOCATION:Room 131\, Building 900 (Max Planck Institut for the Structure an d Dynamics of Matter (MPSD)) URL:https://events.ms1p.org/event/18/ END:VEVENT END:VCALENDAR