BEGIN:VCALENDAR VERSION:2.0 PRODID:-//CERN//INDICO//EN BEGIN:VEVENT SUMMARY:FHI-aims Developers' and Users' Meeting 2026 DTSTART:20260610T070000Z DTEND:20260612T160000Z DTSTAMP:20260606T232400Z 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)Room 131\, Bui lding 900Luruper Chaussee 149\, 22761 Hamburg\nThis workshop will explore advanced methods in electronic structure development that are based on loc alized\, numeric atom-centered orbitals (NAOs). NAO-based modeling is wide ly considered to be one of the most powerful approaches to studying molecu les and materials from a first principles perspective. To advance the stat e of the art in this area\, the proposed meeting will bring together key p layers from the FHI-aims code and related European and international effor ts. Participants will have the opportunity to share their insights\, discu ss emerging trends\, and collaborate on new research initiatives.\nImporta nt Dates\n\n\n\nMarch 01\, 2026\nRegistration Opens\n\n\nMarch 31\, 2026\n Registration Closes\n\n\nApril\, 2026\nAcceptance announcements\n\n\nJune 10\, 2026\nStart of the Conference\n\n\nJune 12\, 2026\nEnd of the Confere nce\n\n\n\nScope\nThe workshop will cover three days and 24 invited talks\ , as well as a poster session. Time will be reserved in the afternoons for "Hands-On Discussions"\, providing dedicated time for the participants to split up into small groups to focus on topics of specific interest rangin g from methodological improvements all the way to code development questio ns related to specific subgroups of participants and joint programming ses sions. Participants are also able to present their own work during the pos ter session.\nTopics covered are new developments in electronic structure theory with numeric atom-centered orbitals - including\, but not limited t o:\n\nNumerical algorithms and new methods for NAOs\nTechnical advances in and scalability of electronic structure methods\nExternal libraries inter facing with FHI-aims\nRecent developments in advanced electronic propertie s\n\n \nConference Fee\nThe conference fee includes conference costs\, lu nch and coffee breaks during the workshop\, an external group dinner\, and a poster party.\nThe total conference fee amounts to 100 EUR.\nConfirmed Speakers\n\n\n\nXinguo Ren (Institute of Physics\, CAS\, China)\nRPA Corre lation Energy at The Complete Basis Set Limit\n\n\nKrystof Brezina (MPSD\, Germany)\nTip-Enhanced Raman Images of Realistic Systems Through Ab Initi o Modeling\n\n\nTobias Henkes (University of Luxembourg\, Luxembourg)\naim s-PAX: Achieving Peace of Mind through Efficient & Automated Construction of Machine Learning Force Fields\n\n\nHannah Bertschi (MPSD\, Germany)\nEh renfest Dynamics for Weakly-Bound Complexes in FHI-aims\n\n\nElia Stocco ( MPSD\, Germany)\nScalable implementation of the Berry phase polarization w ith localized atomic orbitals\n\n\nConnor Box (University of Cambridge\, U K)\nElectron–Phonon Coupling and Superconductivity in FHI-aims\n\n\nLydi a Fichte (FHI\, Germany)\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 Carbogno (FHI\, Germany)\nBeyond Ion Dynamics: Efficient Char ge Transport Simulations including Electrons at Battery Scales\n\n\nMatthi as Kick (FHI\, Germany)\nLarge-Scale TDDFT for Finite and Periodic Systems \n\n\nThomas Purcell (University of Arizona\, USA)\nUpdates to the FHI-aim s Python Environments\n\n\nSubhayan Roychoudhury (Avant-Garde Materials Si mulation GmbH\, Germany)\nMastering organic crystal structure prediction f or the infamous ROY molecule using the PBE0' hybrid functional\n\n\nGabrie l A. Bramley (Cardiff University\, UK)\nRecent Advances in the EmbASI QM/Q M Embedding Wrapper\n\n\nDanjo De Chavez (University of Warwick\, UK)\nFro zen Density Embedding Strategy in Numeric Orbital DFT\n\n\nNoa Marom (Carn egie Mellon University\, USA)\nStructure Prediction of Organic/Inorganic I nterfaces with Genarris\n\n\nMin-Ye Zhang (Institute of Physics\, CAS\, Ch ina)\nAll-electron low-scaling GW for periodic systems: interface\, perfor mance\, and applications\n\n\nJuhan Matthias Kahk (University of Tartu\, E stonia)\nScalable Δ-Self-Consistent-Field Calculations of Core Electron B inding Energies in Periodic and Aperiodic Systems\n\n\nMoritz Leucke (Univ ersity of Würzburg\, Germany)\nResolution-of-the-Identity with Domain Dec omposition\n\n\nAntonio Delesma (University of Würzburg\, Germany)\nA Low -Scaling RPA/GW Algorithm 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 Un iversity\, USA)\nState of FHI-aims\n\n\nYosuke Kanai (University of North Carolina at Chapel Hill\, USA)\nNew Developments with Nuclear-Electronic Orbital Method\n\n\nMaría Camarasa-Gómez (CFM Materials Physics Center\, Spain)\nAI-Assisted Parameter Optimization in Density Functional Theory C alculations\n\n\nWentao Zhang (Duke University\, USA)\nA Large-scale Paral lel Implementation of Quasi-Four-Component Relativistic Density Functional Theory with Numeric Atom-centered Orbitals\n\n\n\nOrganized by\nMariana R ossi (MPSD\, Hamburg\, Germany)\, Anna Lutz (MS1P e.V.\, Berlin\, Germany) \, Volker Blum (Duke University\, Durham\, USA)\, Andrew Logsdail (Cardiff University\, UK)\, Sebastian Kokott (MS1P e.V.\, Berlin\, Germany)\, Kons tantin Mok Lion (MS1P e.V.\, Berlin\, Germany)\n\n\nhttps://events.ms1p.or g/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