Psi-k 2020 (EPFL, Sept. 14-17): Registrations are open!

Dear CECAM community,

This is to announce that the registration for Psi-k 2020 is now open, and the full list of invited speakers and symposia is online.

This is the largest event worldwide in first-principles simulations; it is held every 5 years (the last two editions, in Berlin in 2010 and in San Sebastian in 2015, had more than 1’000 participants each), and with 7 plenary talks, 140 invited talks, and 170 contributed talks it promises to be the most exciting, defining event in the field.

Early-bird deadline is May 1, 2020 – one can register right away, and submit an abstract later (by May 1, 2020, to be considered for a contributed talk, or by Aug. 1, 2020, for a poster). All information – including registration, program, accommodation, and childcare – is available at

Looking very much forward to a successful Psi-k 2020, and to seeing you all in Lausanne!

Nicola Marzari

Chair, Psi-k Charity and Board of Trustees

More information  

The conference

  • 3.5 days (from 2pm on Sept. 14, 2020, to the evening of Sept. 17)
  • 7 plenary talks
  • 39 symposia
  • 6 parallel sessions
  • ~140 invited talks
  • ~170 contributed talks
  • 1 MAD evening to shake it all off!

Important dates

  • May 1, 2020 — Early-bird registration deadline  REGISTRATIONS ARE NOW OPEN!
  • May 1, 2020 — Abstract submission deadline, to be considered for contributed oral presentations
  • May 1, 2020 — Deadline for Volker Heine Young Investigator Award applications
  • Aug. 1, 2020 — Regular registration deadline
  • Aug. 1, 2020 — Abstract submission deadline, posters only
  • Sept. 6, 2020 — Late registration deadline
  • Sept. 14–17, 2020 — Psi-k 2020 Conference

Plenary speakers 

  • Gábor Csányi, University of Cambridge, UK
  • Feliciano Giustino, University of Texas at Austin, USA
  • Sharon Hammes-Schiffer, Yale University, USA
  • Francesco Mauri, University of Rome Sapienza, Italy
  • Angelos Michaelides, University College London, UK
  • Lucia Reining, Ecole Polytechnique, France
  • Nicola Spaldin, ETH Zurich, Switzerland


A | Physical Formalisms

  • Density and density-matrix functional theories
  • Novel theoretical and computational developments in diagrammatic many-body theory
  • Strong correlations beyond local approximations
  • Open quantum systems and non-adiabatic dynamics
  • Emerging aspects of electron-phonon interactions
  • Strongly correlated materials
  • Exciting core electrons
  • New developments in quantum Monte Carlo simulation
  • Frontiers of DFT and beyond
  • Extreme non-linear optics
  • Excitons in complex materials
  • Non-equilibrium physics
  • New developments in first-principles calculations of charge and heat transport

B | Algorithms, Software and Data

  • Recent progress in reduced scaling methods: from quantum chemistry and DFT to second-principles
  • Statistics and configuration sampling
  • Electrified solid-liquid interfaces
  • Software engineering: libraries for electronic structure applications
  • Machine-learned surrogate models: the quest for ab initio accuracy at a fraction of the cost
  • Machine learning for many-body quantum physics
  • Structure searching and crystal structure prediction
  • Materials discovery by high-throughput screening and artificial intelligence
  • Emerging and future computing
  • Current and future challenges associated with data infrastructure and reproducibility

C | Applications to Real Materials and Materials Design

  • Ab initio guided design of structural materials
  • Functional materials and devices
  • Magnetism and spintronics
  • Surfaces and interfaces at realistic conditions
  • New physics in 2D materials and van der Waals multilayers
  • Molecules, macromolecules and biomolecules: challenges and new opportunities for electronic structure methods
  • Twisted bilayer materials
  • Topological properties in real and momentum space
  • Strong spin-orbit and magnetic systems
  • Materials for energy
  • Polaron and excitons: fundamentals of charge trapping and its impact in applications
  • Electronic structure calculations and molecular modeling in industry
  • Interfacial water: structures and dynamics

D | Simulations across Domains (joint with CECAM)

  • Materials modeling beyond electronic structure
  • Broadening the picture

E | Volker Heine Young Investigator Award