MARVEL phase 2 closing event

Apr 28, 2022, from 9:00 until 18:00, SwissTech Convention Center, EPFL

The phase 2 of MARVEL is coming to a close, officially at the end of April. In order to give a proper conclusion to this phase and celebrate the achievements of all groups — and especially since we had to resort to virtual meetings since 2020! —  MARVEL members and all interested, are invited to the in-person MARVEL phase 2 closing event on Thursday April 28, 2022 at the SwissTech Convention Center, EPFL.

Each Design & Discovery project will have an overall final presentation given by the PI, followed by 2 student talks on more focused aspects of the project. In addition, Agility+ projects and the Incubator projects will also showcase their results. This will be followed by a well-deserved apero for a proper sendoff!

Registrations are closed.


09:00  –  Arrival and registration

09:15  –  The MARVEL NCCR and an overview of Phase 2: Nicola Marzari (MARVEL Director, EPFL)

09:30  –  Design & Discovery 1: Organic crystals

  • Michele Ceriotti (EPFL): Design & Discovery 1 overview presentation
  • Alberto Fabrizio (EPFL): Introducing Q-stack – a framework for pre-/post-processing tasks in Quantum Machine Learning
  • Rose Cersonsky (EPFL): Identifying high-stability motifs in molecular crystals

10:15  –  Design & Discovery 2:  Metal alloys

  • Bill Curtin (EPFL): Design & Discovery 2 overview presentation
  • Max Veit (EPFL): Integrated machine-learning models: software and applications
  • Yi Hu (EPFL): Predictive metallurgy guided by machine-learning interatomic potentials

11:00  –  Coffee break

11:20  –  Design & Discovery 3:  Low dimensional materials

  • Nicola Marzari (EPFL): Design & Discovery 3 overview presentation
  • Youseung Lee (ETHZ): Dynamics of charge qubit in 2D bilayer materials: ab initio quantum transport and qubit measurement
  • Guido Gandus (ETHZ/Empa): Origin of many-body quantum interference effects in molecular radicals

12:05  –  Design & Discovery 4: Nanoporous materials

  • Berend Smit (EPFL): Design & Discovery 4 overview presentation
  • Augustin Bussy (UZH): Gradients and stress tensor for periodic systems using double-hybrid functionals
  • Stefano Falletta (EPFL): Polarons free from many-body self-interaction in density functional theory

12.50  –  Lunch

13:50  –  Design & Discovery 5:  Correlated oxides

  • Elizabeth Skoropata (PSI): Local states in highly-ordered interfacial defect networks
  • Francesco Petocchi (UniFR): Mott versus hybridization gap in the low-temperature phase of 1T-TaS2
  • Alberto Carta (ETHZ): Evidence for Jahn-Teller-driven metal-insulator transition in strained SrCrO3 from first principles calculations

14:35  –  Agility+ projects

  • Marta Gibert (UZH): Electronic properties of SrCrO3 thin films
  • Moritz Thürlemann (ETHZ): Towards the improvement of the generation and scoring of crystal packings with machine learning and classical potentials

15:05  –  Coffee break

15:25  –  Design & Discovery 6: Topological materials

  • Oleg Yazyev (EPFL): Design & Discovery 6 overview presentation
  • Glenn Wagner (UZH):  Kekule spirals in twisted bilayer graphene
  • Sandy Ekahana (PSI): Application of self supervised learning in ARPES data analysis: use case of Fe3Sn2 laser ARPES data

16:10  –  Incubator 1: Solid-state ionics

  • Giuliana Materzanini (EPFL/UCLouvain): Solid-state ionic conductors: from workflow development to materials discovery and testing 

16:25  –  Incubator 2: Machine Learning

  • Volker Roth (Uni Basel): Active machine learning for computational materials design

16:40  –  Conclusion

16:50  –  Apero

18:00  –  End

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