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EUSpecLab/PSI school on advanced spectroscopy

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Auditorium (Paul Scherrer Institut)

Auditorium

Paul Scherrer Institut

Forschungsstrasse 111 5232 Villigen PSI Switzerland
Matthias Muntwiler (PSI - Paul Scherrer Institut)
Description

The EUSpecLab/PSI spectroscopy school brings together experimental, theoretical and computational physicists who apply machine learning techniques in the spectroscopy of novel materials and emergent phenomena in condensed matter physics.

  • Advanced spectroscopy techniques
  • Condensed matter physics
  • Machine learning methods
  • Large research facilities

The school is intended for PhD students and interested scientists in condensed matter physics who have basic experience with spectroscopic techniques and/or computational methods. The school focuses on current research topics in condensed matter physics and how advanced experimental and theoretical spectroscopic methods are applied to understand complex phenomena and to discover new materials. Detailed Programme...

The school took place from April 15-19, 2024, at PSI. Many thanks to all speakers for inspiring lectures and to all participants for their interest!

group photo

Organized in association with the EUSpecLab doctoral network.

EUSpecLab Doctoral Network

20240417-144648-mnz_3289_dt0.jpg
event-map.pdf
flyer-spectroscopy-school-psi.pdf
  • Monday 15 April
    • 08:45 → 09:15
      Registration 30m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland
    • 09:15 → 09:30
      Welcome 15m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland
      Speakers: Matthias Kurt Muntwiler (PSI - Paul Scherrer Institut), Yasin Ekinci (PSI - Paul Scherrer Institut)
    • 09:30 → 10:45
      Machine Learning in NMR spectroscopy 1h 15m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland
      Speaker: Nicolas Schmid (ZHAW Winterthur)
      präsentation_psi_sharable.pdf
      präsentation_psi_sharable.pptx
    • 10:45 → 11:15
      Coffee break 30m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland
    • 11:15 → 12:45
      The good, the bad, and the ugly - electronic-structure methods for ground and excited states 1h 30m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland
      Speaker: Nicola Marzari (EPFL Lausanne)
    • 12:45 → 14:15
      Lunch break 1h 30m Restaurant Oase

      Restaurant Oase

      Paul Scherrer Institut
    • 14:15 → 15:45
      MatterGen: a generative model for inorganic materials design 1h 30m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland
      Speaker: Tian Xie (Microsoft Research)
      PSI_20240415.pdf
    • 15:45 → 16:15
      Coffee break 30m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland
    • 16:15 → 17:45
      Computational science in a material and nano-science laboratory: at the interface between method development and application. 1h 30m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland
      Speaker: Daniele Passerone (Empa Dübendorf)
    • 17:45 → 19:15
      Posters 1h 30m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland
      posters.pdf
  • Tuesday 16 April
    • 09:15 → 10:45
      Four Generations of Machine Learning Potentials 1h 30m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland
      Speaker: Jörg Behler (Ruhr-Universität Bochum)
      Talk-Behler.pdf
    • 10:45 → 11:15
      Coffee break 30m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland
    • 11:15 → 12:45
      How to train a neural network potential 1h 30m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland
      Speaker: Alea Tokita (Ruhr-Universität Bochum)
      How_to_train_a_NNP.pdf
    • 12:45 → 14:15
      Lunch break 1h 30m Restaurant Oase

      Restaurant Oase

      Paul Scherrer Institut
    • 14:15 → 15:45
      Modeling vibrational and electronic spectroscopies with atomic-scale machine learning 1h 30m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland

      Machine-learning models have greatly extended the scope of application of atomistic simulations, that can evaluate, with predictive accuracy, the stability and properties of materials and molecules. In this lecture, I will briefly overview traditional modeling techniques that can be used to estimate vibrational (IR, Raman, ...) and electronic spectroscopies (optical excitations in particular). I will then discuss how these methods can be combined with data-driven approaches, based on machine-learned approximations of the interatomic potentials and of atomic-scale dielectric and electronic response properties.

      Speaker: Michele Ceriotti (EPFL Lausanne)
      psi-spectroscopy-ceriotti.pdf
    • 15:45 → 16:15
      Coffee break 30m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland
    • 16:15 → 17:45
      Molecules and two dimensional materials on surfaces: Spectroscopies from the DFT 1h 30m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland
      Speaker: Ari Seitsonen (CNRS/Ecole normale supérieure Paris)
      Seitsonen-202404-SpectroscopySchool-PSI--Lecture.pdf
  • Wednesday 17 April
    • 09:15 → 10:45
      Viewing quasiparticle behavior through the ARPES spectral function 1h 30m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland
      Speaker: Nicholas Clark Plumb (PSI - Paul Scherrer Institut)
      EUSpecLab2024_plumb_publish.pdf
    • 10:45 → 11:15
      Coffee break 30m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland
    • 11:15 → 12:45
      Spin-resolved ARPES: from topological materials to quantum interference 1h 30m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland
      Speaker: Jan Hugo Dil (EPFL - EPF Lausanne)
      Dil_2019_Electron._Struct._1_023001.pdf
      Dil_EUSpecLab_24.pdf
      XPS_ARPES_extension.pdf
    • 12:45 → 14:15
      Lunch break 1h 30m Restaurant Oase

      Restaurant Oase

      Paul Scherrer Institut
    • 14:15 → 15:45
      Exploring the nonlinear optical response of 2D semiconductors 1h 30m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland
      Speaker: Chiara Trovatello (Columbia University)
    • 15:45 → 16:15
      Coffee break 30m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland
    • 16:15 → 17:45
      Spectroscopy images exotic electronic systems and experiences interplay between different emerging phenomena in Transition Metal Oxides 1h 30m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland

      Transition Metal Oxides (TMOs) are known for their diverse and multifaceted physical behaviors, intricately linked to the spin and orbital configurations of transition metal d-states and their dynamic interaction with the crystal lattice [1]. A powerful strategy to modify the physical properties of TMOs originates from their structural flexibility, enabling the construction of heterostructures. Specifically, it will be exhibited that manipulating the electronic structures through TMO-engineered heterostructures [2] is a foundational step toward utilizing those materials in novel devices.

      This lecture delves into significant revelations from Angle-Resolved Photoemission Spectroscopy (ARPES) concerning two topics:
      (I) Low-dimensional electronic systems (LDES) and,
      (II) Metal-Insulator Transition (MIT).

      The first topic will concern how LDES in SrTiO3 (STO) is influenced by the crystal structure, orbital ordering, and defects [3-5]. The second part of the lecture will specifically discuss how ARPES studies on RENiO3 have shed light on the underlying mechanisms driving the MIT in complex oxides. [3]. Further, it will be examined how establishing the novel ferromagnetic order in thin NdNiO3 (NNO) films, accomplished through heterostructures containing a magnetic layer, profoundly mitigates the MIT [4]. This example illustrates the capability to utilize magnetic interactions to influence the electronic states of TMOs.

      The ARPES studies, in general, highlighted and emphasized the versatility of TMOs as quantum materials for future applications in advanced technology.

      References

      1. Yoshinori Tokura, Correlated-Electron Physics in Transition-Metal Oxides, Physics Today 56 (7), 50–55 (2003).
2. Pavlo Zubko, Stefano Gariglio, Marc Gabay, Philippe Ghosez, Jean-Marc Triscone, Interface physics in complex oxide heterostructures, Annu. Rev. Condens. Matter Phys. 2:141–65 (2011).
3. NC Plumb, M Salluzzo, E Razzoli, Martin Månsson, M Falub, J Krempasky, CE Matt, J Chang, M Schulte, J Braun, H Ebert, J Minár, B Delley, K-J Zhou, T Schmitt, M Shi, Joël Mesot, L Patthey, M Radović, Mixed Dimensionality of Confined Conducting Electrons in the Surface Region of SrTiO3, Physical review letters 113 (8), 086801 (2014).
4. AF Santander-Syro, F Fortuna, C Bareille, TC Rödel, G Landolt, NC Plumb, JH Dil, M Radović, Giant spin splitting of the two-dimensional electron gas at the surface of SrTiO3, Nature materials 13 (12), 1085-1090 (2014).
5. Eduardo B Guedes, Stefan Muff, Walber H Brito, Marco Caputo, Hang Li, Nicholas C Plumb, J Hugo Dil, Milan Radović, Universal Structural Influence on the 2D Electron Gas at SrTiO3 Surfaces, Advanced Science 8 (22), 2100602 (2021).
6. R. S. Dhaka, Tanmoy Das, N. C. Plumb, Z. Ristic, W. Kong, C. E. Matt, N. Xu, Kapildeb Dolui, E. Razzoli, M. Medarde, L. Patthey, M. Shi, M. Radović, and Joël Mesot, Tuning the metal-insulator transition in NdNiO3 heterostructures via Fermi surface instability and spin fluctuations, Phys. Rev. B 92, 035127 (2015). 
7. M, Caputo, Z. Ristic, R. S. Dhaka, T. Das, Z. Wang, C. E. Matt, N. C. Plumb, E. B. Guedes, J. Jandke, M. Naamneh, A. Zakharova, M. Medarde, M. Shi, L. Patthey, J. Mesot, C. Piamonteze, M. Radovic, Proximity‐Induced Novel Ferromagnetism Accompanied with Resolute Metallicity in NdNiO3 Heterostructure, Advanced Science 8, 2101516 (2021).
      Speaker: Milan Radovic (PSI - Paul Scherrer Institut)
    • 17:45 → 19:15
      Posters 1h 30m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland
  • Thursday 18 April
    • 09:15 → 10:45
      Photoelectron diffraction at low kinetic energy as a high sensitive tool in 2D van der Waals systems 1h 30m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland
      Speaker: Roberto Gunnella (Universita di Camerino)
    • 10:45 → 11:15
      Coffee break 30m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland
    • 11:15 → 12:45
      Advanced topics in ARPES: Final-state effects and high-energy photoemission 1h 30m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland
      Speaker: Vladimir Strokov (PSI - Paul Scherrer Institut)
      EUSpec-Strocov.pdf
    • 12:45 → 14:15
      Lunch break 1h 30m Restaurant Oase

      Restaurant Oase

      Paul Scherrer Institut
    • 14:15 → 15:45
      Time-resolved ARPES: Observing photoinduced phase transitions and excited states 1h 30m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland
      Speaker: Claude Monney
      lecture_trARPES_2vs.pdf
    • 15:45 → 16:15
      Coffee break 30m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland
    • 16:15 → 17:45
      Theory of time-resolved photoemission spectroscopy: tracking the excited states of solids 1h 30m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland
      Speaker: Michael Schüler (PSI - Paul Scherrer Institut)
      EUSpecSchool_Schueler.pdf
    • 18:00 → 18:30
      Relocation (departure 18:13) 30m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland

      Bus direction Siggenthal, departure 18:13 from PSI West, gate side

    • 18:30 → 21:00
      Social dinner 2h 30m
    • 21:00 → 21:30
      Return to PSI (departure 21:24) 30m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland

      Return to PSI, departure from Baden railway station at 21:24 or 21:54

  • Friday 19 April
    • 09:15 → 12:45
      Lab visit 3h 30m PSI Forum

      PSI Forum

      Presentation of PSI and guided tour of the large research facilities SLS, SwissFEL, SINQ and SmuS.

      Meeting point: PSI forum (next to restaurant Oase)

      9317_Programm.pdf
    • 12:45 → 14:00
      Lunch break 1h 15m Restaurant Oase

      Restaurant Oase

      Paul Scherrer Institut
    • 14:00 → 14:30
      Closing, poster prize 30m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland
    • 14:30 → 17:00
      EUSpecLab supervisory board meeting 2h 30m Auditorium

      Auditorium

      Paul Scherrer Institut

      Forschungsstrasse 111 5232 Villigen PSI Switzerland

      EUSpecLab members (PIs and students) only

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