SCHEDULE

11:45 Registration desk opens

14:00–14:15 Welcome

14:15–15:00 Plenary 1: Lucia Reining

15:15–19:00 Symposia:

• A1 [1st part] Density and density-matrix functional theories
• A8 New developments in quantum Monte Carlo simulation
• B2 [1st part] Statistics and configuration sampling
• B8 [1st part] Materials discovery by high-throughput screening and artificial intelligence
• C6 Molecules, macromolecules and biomolecules: challenges and new opportunities for electronic structure methods
• C7 Twisted bilayer materials

09:00–09:45 Plenary 2: Nicola Spaldin

10:00–13:15 Symposia:

• A1 [2nd part] Density and density-matrix functional theories
• A2 [1st part] Novel theoretical and computational developments in diagrammatic many-body theory
• A7 Exciting core electrons
• B1 Recent progress in reduced scaling methods: from quantum chemistry and DFT to second-principles
• B2 [2nd part] Statistics and configuration sampling
• B7 Structure searching and crystal structure prediction
• C2 [1st part] Functional materials and devices
• C5 [1st part] New physics in 2D materials and van der Waals multilayers
• C13 Interfacial water: structures and dynamics

13:15–14:15 Lunch and poster session 1
Posters for symposia A1 A4 A7 A8 A9 B1 B2 B7 B8 C2 C6 C7 C9 C13

14:15–18:00 Symposia:

• A4 Open quantum systems and non-adiabatic dynamics
• A5 Emerging aspects of electron-phonon interactions
• A9 Frontiers of DFT and beyond
• B6 Machine learning for many-body quantum physics
• B8 [2nd part] Materials discovery by high-throughput screening and artificial intelligence
• C2 [2nd part] Functional materials and devices
• C9 Strong spin-orbit and magnetic systems

18:15–19:00 Plenary 3: Feliciano Giustino

09:00–09:45 Plenary 4: Francesco Mauri

10:00–13:30 Symposia:

• A2 [2nd part] Novel theoretical and computational developments in diagrammatic many body theory
• A3 Strong correlations beyond local approximations
• B3 Electrified solid-liquid interfaces
• B9 Emerging and future computing
• C4 [1st part] Surfaces and interfaces at realistic conditions
• C8 [1st part] Topological properties in real and momentum space
• C10 [1st part] Materials for energy
• C12 Electronic structure calculations and molecular modeling in industry

13:30–14:15 Lunch and poster session 2
Posters for symposia A2 A3 A5 A10 B3 B4 B6 B9 C3 C4 C5 C12

14:15–18:00 Symposia:

• A10 Extreme non-linear optics
• A13 [1st part] New developments in first principles calculations of charge and heat transport
• B4 Software engineering: libraries for electronic structure applications
• B5 [1st part] Machine-learned surrogate models: the quest for ab initio accuracy at a fraction of the cost
• C4 [2nd part] Surfaces and interfaces at realistic conditions
• C5 [2nd part] New physics in 2D materials and van der Waals multilayers
• C10 [2nd part] Materials for energy

18:15 MAD gala event
Separate registration required, details here

09:00–09:45 Plenary 5: Angelos Michaelides

10:00–13:30 Symposia:

• A11 Excitons in complex materials
• A13 [2nd part] New developments in first principles calculations of charge and heat transport
• B10 Current and future challenges associated with data infrastructure and reproducibility
• C1 Ab initio guided design of structural materials
• C3 [1st part] Magnetism and spintronics
• C8 [2nd part] Topological properties in real and momentum space
• D1 Simulations across domains: materials modeling beyond electronic structure

13:30–14:15 Lunch and poster session 3
Posters for symposia A6 A11 A12 A13 B5 B10 C1 C8 C10 C11

14:15–17:45 Symposia:

• A6 Strongly correlated materials
• A12 Non-equilibrium physics
• B5 [2nd part] Machine-learned surrogate models: the quest for ab initio accuracy at a fraction of the cost
• C3 [2nd part] Magnetism and spintronics
• C11 Polarons and excitons: fundamentals of charge trapping and its impact in applications
• D2 Simulations across domains: broadening the picture

18:00–18:45 Plenary 6: Gábor Csányi

18:45–19:00 Closing