Welcome

• Matthias Kurt Muntwiler (PSI - Paul Scherrer Institut)
• Yasin Ekinci (PSI - Paul Scherrer Institut)

Room: Auditorium

Machine Learning in NMR spectroscopy

• Nicolas Schmid (ZHAW Winterthur)

Room: Auditorium

The good, the bad, and the ugly - electronic-structure methods for ground and excited states

• Nicola Marzari (EPFL Lausanne)

Room: Auditorium

MatterGen: a generative model for inorganic materials design

• Tian Xie (Microsoft Research)

Room: Auditorium

Computational science in a material and nano-science laboratory: at the interface between method development and application.

• Daniele Passerone (Empa Dübendorf)

Room: Auditorium

Posters Room: Auditorium

Four Generations of Machine Learning Potentials

• Jörg Behler (Ruhr-Universität Bochum)

Room: Auditorium

How to train a neural network potential

• Alea Tokita (Ruhr-Universität Bochum)

Room: Auditorium

Modeling vibrational and electronic spectroscopies with atomic-scale machine learning

• Michele Ceriotti (EPFL Lausanne)

Room: Auditorium 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.

Molecules and two dimensional materials on surfaces: Spectroscopies from the DFT

• Ari Seitsonen (CNRS/Ecole normale supérieure Paris)

Room: Auditorium

Viewing quasiparticle behavior through the ARPES spectral function

• Nicholas Clark Plumb (PSI - Paul Scherrer Institut)

Room: Auditorium

Spin-resolved ARPES: from topological materials to quantum interference

• Jan Hugo Dil (EPFL - EPF Lausanne)

Room: Auditorium

Exploring the nonlinear optical response of 2D semiconductors

• Chiara Trovatello (Columbia University)

Room: Auditorium

Spectroscopy images exotic electronic systems and experiences interplay between different emerging phenomena in Transition Metal Oxides

• Milan Radovic (PSI - Paul Scherrer Institut)

Room: Auditorium 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).

Posters Room: Auditorium

Photoelectron diffraction at low kinetic energy as a high sensitive tool in 2D van der Waals systems

• Roberto Gunnella (Universita di Camerino)

Room: Auditorium

Advanced topics in ARPES: Final-state effects and high-energy photoemission

• Vladimir Strokov (PSI - Paul Scherrer Institut)

Room: Auditorium

Time-resolved ARPES: Observing photoinduced phase transitions and excited states

• Claude Monney

Room: Auditorium

Theory of time-resolved photoemission spectroscopy: tracking the excited states of solids

• Michael Schüler (PSI - Paul Scherrer Institut)

Room: Auditorium

Lab visit Presentation of PSI and guided tour of the large research facilities SLS, SwissFEL, SINQ and SmuS. Meeting point: PSI forum (next to restaurant Oase)

Closing, poster prize Room: Auditorium

EUSpecLab supervisory board meeting Room: Auditorium EUSpecLab members (PIs and students) only