10–12 Jun 2026
Max Planck Institut for the Structure and Dynamics of Matter (MPSD)
Europe/Berlin timezone

Presentation Slides

Here you can find the slides of the presentations in PDF format. More slides will be added if we receive them.

Volker Blum + MS1P team (Opening) Duke University, USA + MS1P e.V., Germany State of FHI-aims
Yosuke Kanai University of North Carolina at Chapel Hill, USA New Developments with Nuclear-Electronic Orbital Method
Matthias Kick FHI, Germany Large-Scale TDDFT for Finite and Periodic Systems
Hannah Bertschi MPSD, Germany Ehrenfest Dynamics for Weakly-Bound Complexes in FHI-aims
Ruiyi Zhou ETH Zurich, Switzerland Recent Advances in Periodic BSE Calculations with Numeric Atom-Centered Orbitals
Jingkai Quan (Contributed Talk) MPSD, Germany Efficient band structure unfolding with atom-centered orbitals
Fabio Della Sala (Contributed Talk) CNR-IMM, Italy Adiabatic Connection Correlation Functionals from Hartree-Fock Orbitals
Xinguo Ren Institute of Physics, CAS, China RPA Correlation Energy at The Complete Basis Set Limit
Min-Ye Zhang Institute of Physics, CAS, China All-electron low-scaling GW for periodic systems: interface, performance, and applications
Antonio Delesma University of Würzburg, Germany A Low-Scaling RPA/GW Algorithm Based on Separable Resolution-of-the-Identity
Moritz Leucke University of Würzburg, Germany Resolution-of-the-Identity with Domain Decomposition
Danjo De Chavez University of Warwick, UK Frozen Density Embedding Strategy in Numeric Orbital DFT
Gabriel A. Bramley Cardiff University, UK Recent Advances in the EmbASI QM/QM Embedding Wrapper
Noa Marom Carnegie Mellon University, USA Structure Prediction of Organic/Inorganic Interfaces with Genarris
Subhayan Roychoudhury Avant-Garde Materials Simulation GmbH, Germany Mastering organic crystal structure prediction for the infamous ROY molecule using the PBE0' hybrid functional
Christian Carbogno FHI, Germany Beyond Ion Dynamics: Efficient Charge Transport Simulations including Electrons at Battery Scales
Elia Stocco MPSD, Germany Scalable implementation of the Berry phase polarization with localized atomic orbitals
Wentao Zhang Duke University, USA A Large-scale Parallel Implementation of Quasi-Four-Component Relativistic Density Functional Theory with Numeric Atom-centered Orbitals
Connor Box University of Cambridge, UK Electron–Phonon Coupling and Superconductivity in FHI-aims
Krystof Brezina MPSD, Germany Tip-Enhanced Raman Images of Realistic Systems Through Ab Initio Modeling
María Camarasa-Gómez CFM Materials Physics Center, Spain AI-Assisted Parameter Optimization in Density Functional Theory Calculations
Thomas Purcell University of Arizona, USA Updates to the FHI-aims Python Environments
Tobias Henkes University of Luxembourg, Luxembourg aims-PAX: Achieving Peace of Mind through Efficient & Automated Construction of Machine Learning Force Fields
Christoph Dähn FHI, Germany Fantastic Polaronic Peaks and Where to Find Them: Learning Vibrational Spectra of a Disordered Energy Material
Valdas Vitartas (Contributed Talk) University of Warwick, UK Uncertainty-Aware Machine Learning Hamiltonians with On-Demand SCF Refinement
Lydia Fichte FHI, Germany DFT+U+V: Ground State and Real-Time Dynamics
Juhan Matthias Kahk University of Tartu, Estonia Scalable Δ-Self-Consistent-Field Calculations of Core Electron Binding Energies in Periodic and Aperiodic Systems