MARVEL phase 2 closing event
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.
Schedule
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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