Conference Contributions

Date	Type	Project	Title	Authors	Conference
01.10.21	Talk	P02	Surface reconstructions: challenges and opportunities for the growth of perovskite oxides	Giada Franceschi, Michael Schmid, Ulrike Diebold, and Michele Riva	Germany Physics Society (DPG) Fall Meeting (online)
27.09.21	Talk	P02	Perovskite Oxide Surfaces: Challenges and Opportunities	Michele Riva	TACO Kickoff Meeting
27.09.21	Talk	P07	Polarons in TACO: Properties, Effects and promising novel Recipes	Michele Reticcioli	TACO Kickoff Meeting
01.06.21	Invited Lecture	P02	ViPErLEED: Lowering barriers for LEED-IV	Florian Kraushofer, Michael Schmid, Florian Dörr, Ulrike Diebold, T. Kißlinger, Lutz Hammer, Michele Riva	Diamond Synchrotron Seminars (online)
04.05.21	Invited Talk	P02	ViPErLEED: Lowering barriers for LEED-IV	Florian Kraushofer, Michael Schmid, Ulrike Diebold, Tilman Kiβlinger, Lutz Hammer, Michele Riva	14th European Conference on Surface Crystallography and Dynamics (ECSCD) (online)
08.04.21	Poster	P02	Surface Structure of La_0.8Sr_0.2MnO₃(110)	Michele Riva, Giada Francheschi, Michael Schmid, and Ulrike Diebold	TACO Convocation Meeting (online)
03.03.21	Poster	P02	Surface reconstructions: challenges and opportunities for the growth of perovskite oxides	Giada Franceschi, Michael Schmid, Ulrike Diebold, and Michele Riva	German Physics Society (DPG) Spring Meeting (online)
17.11.21	Talk	P09	Neural-network-backed evolutionary search for SrTiO₃ (110) surface reconstructions	Ralf Wanzenböck	High-throughput workflows for materials science with the Atomic Simulation Environment (ASE) and Fireworks
15.11.21	Invited Talk	P09	Surface reconstructions and defect structures using evolutionary strategies and machine learned force fields	Georg Madsen	High-throughput workflows for materials science with the Atomic Simulation Environment (ASE) and Fireworks
14.12.21	Keynote	P02	Atomic-scale properties of oxides: Influence on chemistry and growth	Ulrike Diebold	Materials Research Meeting MRM2021 (online)
08.12.21	Plenary Talk	P02	Atomic-Scale Surface Properties of Oxide Materials	Ulrike Diebold	International Conference on Advanced Materials and Devices 2021 (ICAMD2021) (online)
02.12.21	Keynote	P02	Surface Science: Research at the Interface between Physics, Chemistry, and Materials	Ulrike Diebold	Belgium Physics Society
31.08.21	Plenary Talk	P02	Where Physics Meets Chemistry: Surfaces at the Atomic Scale	Ulrike Diebold	Joint Meeting of the Austrian and Swiss Physical Societies
23.07.21	Keynote	P02	Direct assessment of the acidity of individual hydroxyls on oxides	Ulrike Diebold	Cluster Conference 2021
28.06.21	Keynote	P02	Probing Surfaces at the Atomic Scale	Ulrike Diebold	4th International Applied Surface Science Conference (online)
03.06.21	Plenary Talk	P02	Surfaces at the Atomic Scale	Ulrike Diebold	European Materials Research Society (EMRS) Spring Meeting (online)
21.09.21	Invited Talk	P07	Polarons in the Gap	Cesare Franchini	European Materials Research Society (EMRS) Fall Meeting (Warsaw, Poland)
18.05.21	Plenary Talk	P02	Oxide Surfaces at the Atomic Scale	Ulrike Diebold	NEVAC Dag 2020 (online)
21.04.21	Invited Talk	P02	Oxide Surface Science: TiO₂ and Beyond	Ulrike Diebold	Interdisciplinary Surface Science Conference (online)
30.06.21	Colloquium	P02	Combining Surface Science and Pulsed Laser Deposition: Challenges and Opportunities	Ulrike Diebold	ARNCL Colloquim (online)
22.06.21	Course	P02	Surface Science of Metal Oxides - Concepts, Methods, and Latest Results	Ulrike Diebold	SINNCE Courses on Advanced Topibs (2 days) (online)
24.03.21	Seminar	P02	The (even more) complex surfaces of complex perovskite oxides: curse and opportunity	Ulrike Diebold	Department of Condensed Matter Physics, Masaryk University, Brno, Czech Republic (online)
24.06.21	Seminar	P03	Thermodynamic properties by on-the-fly machine-learned interatomic potentials: thermal transport and phase transitions	Carla Verdi	NOMAD Laboratory Seminar (online)
05.07.21	Invited Talk	P03	Accurate prediction of thermodynamic properties of materials from machine-learned force fields: thermal transport and phase transitions	Carla Verdi, Ferenc Karsai, Peitao Liu, Ryosuke Jinnouchi, Georg Kresse	14th International Symposium on Flexible Organic Electronics (ISFOE21) (online)
02.03.21	Poster	P07	Intrinsic Excess charge on polar surfaces: charge density waves, polarons and bipolarons	Michele Reticcioli, Zhichang Wang, Michael Schmid, Ulrike Diebold, Martin Setvin, Cesare Fanchini	German Physics Society (DPG) Spring Meeting (online)
12.01.22	Invited Talk	P04	A Multi-Technique, Multi-Year Study of the Fe₃O₄(111) Surface	Gareth S. Parkinson	Surface Science Discussions 2022 (online)
29.10.21	Seminar	P07	Polarons and how to find them	Michele Reticcioli	Seminar Series for PhD/Master students (University of Vienna)
02.08.21	Invited Talk	P07	Polarons in Materials	Michele Reticcioli	International Conference on Multidisciplinarity Nano Research
20.05.21	Invited Talk	P07	Influence of Polarons on Adsorption	Michele Reticcioli	Seminar Series for PhD students (Charles University, Prague)
19.03.21	Seminar	P07	Tracking Polarons: a Machine Learning Application in Quantum Materials Modeling	Michele Reticcioli	Internal Seminar at MaLGa Machine Learning Genoa Center (Genova)
25.10.21	Invited Talk	P08	Watching ongoing reactions: from single crystals to by single particle catalysis	Günther Rupprechter	Shanghai University of Engineering Science, College of Chemistry and Chemical Engineering (Shanghai, China)
21.10.21	Invited Talk	P08	In situ Photoemission Microscopy of Catalytic Surface Reactions	Günther Rupprechter	7^th International Congress on Microscopy and Spectrocsopy (Fethiye, Turkey)
28.09.21	Invited Talk	P08	Catalysis by Ultrathin LaBO₃ (B=Co, Fe) Perovskite Films: Progress Report	Günther Rupprechter	TACO Kickoff Meeting
22.09.21	Plenary Lecture	P08	Operando surface spectroscopy and microscopy during catalytic reactions	Günther Rupprechter	53^rd Polish Annual Conference on Catalysis (Jerzy Haber Institute of Catalysis and Surface Chemistry, Krakow, Poland)
21.09.21	Invited Talk	P08	Following surface reactions on model catalysts by operando spectroscopy and microscopy	Günther Rupprechter	Department of Chemistry and Center for Nanointegration Duisburg-Essen (University of Duisburg-Essen, Germany)
25.08.21	Invited Talk	P08	Operando vibrational spectroscopy and photoemission microscopy of surface reactions	Günther Rupprechter	ACS Fall Meeting
21.05.21	Invited Talk	P08	Surface spectroscopy and microscopy during ongoing oxidation reactions	Günther Rupprechter	DFG SFB TrackAct Seminar (Karlsruher Institute of Technology, Germany)
09.04.21	Invited Talk	P08	Catalysis by ultrathin LaBO₃ (B=Co, Fe) perovskite films	Günther Rupprechter	TACO Convocation Meeting (online)
25.03.21	Keynote Lecture	P08	Operando Surface Spectroscopy and Microscopy During Catalytic Reactions	Günther Rupprechter	Symposium "Operando and Theoretical Surface Science Studies of Heterogeneous Catalysts" (Uppsala University, Sweden)
30.10.21	Invited Talk	P11	A molecular view at the interface between water and a photocatalyst	Ellen Backus	CataLight Young Scientist Symposium, Germany (online)
11.01.22	Invited Talk	P02	Water and Hydroxyls at In₂O₃(111)	Ulrike Diebold	International Workshop on Oxide Surfaces (IWOX-XIII), South Korea (online)
10.01.22	Keynote Lecture	P02	Fundamental studies using surface science techniques	Ulrike Diebold	Wilhelm und Else-Heraeus-Seminar
02.03.22	Invited Talk	P08	Watching ongoing reactions by single particle catalysis	Günther Rupprechter	91st IUVSTA Workshop on Surface Chemistry of Catalytic Systems (online)
06.04.22	Invited Talk	P08	Monitoring catalytic reactions on energy-relevant nanostructures	Günther Rupprechter	The 7th International Conference on Photo-catalytic and Advanced Oxidation Technologies for Treatment of Water, Air, Soil and Surfaces (PAOT-7)
17.06.22	Invited Talk	P08	Surface microscopy of ongoing catalytic reactions	Günther Rupprechter	9th Irsee Symposium (Germany)
12.07.22	Plenary Lecture	P08	Operando Studies of Catalytic Surface Reaction	Günther Rupprechter	YOURHETCAT 2022, 1st Forum of Young Researchers on Heterogeneous Catalysis (Szeged, Hungary)
26.08.22	Keynote Lecture	P08	CO₂ activation and utilization by zirconia-based catalysts: surface science and operando studies	Günther Rupprechter	WEAVE 2022: Waste–to–Value: Towards Green and Circular Economy (Bangkok, Thailand)
08.09.22	Talk	P02	ViPErLEED: A modern all-in-one LEED I(V) package	Alexander Imre, Florian Kraushofer, Florian Dörr, Tilman Kißlinger, Michael Schmid, Ulrike Diebold, Lutz Hammer, Michele Riva	DPG Meeting 2022 (Regensburg, Germany)
01.09.22	Poster	P02	Introducing ViPErLEED: The Vienna Package for TensErLEED	Alexander Imre, Florian Kraushofer, Florian Dörr, Tilman Kißlinger, Lutz Hammer, Michael Schmid, Ulrike Diebold, Michele Riva	ECOSS35 (Luxembourg, Luxembourg)
27.09.22	Talk	P02	The Vienna Package for TensErLEED	Alexander Imre	ÖPG2022, Leoben
16.03.22	Talk	P03	Thermodynamic properties by on-the-fly machine-learned potentials within and beyond DFT	Carla Verdi, Luigi Ranalli, Cesare Franchini, and Georg Kresse	American Physical Society March Meeting, Chicago, USA
02.02.22	Invited Talk	P03	Thermodynamic properties by on-the-fly machine-learned potentials within and beyond DFT	Carla Verdi	DQML 2022, Hintertux, Austria
07.04.22	Seminar	P03	Quantum paraelectricity, structural phase transitions and domain boundaries in SrTiO₃ by machine-learned interatomic potentials	Carla Verdi	Seminar on Computational Quantum Materials, University of Vienna
27.04.22	Seminar	P03	Thermodynamic properties by on-the-fly machine-learned potentials within and beyond DFT	Carla Verdi	Physics Colloquium, Graz University of Technology
15.11.21	Poster	P09	Challenges in predicting surface reconstructions: Electrostatics and magnetism	Florian Buchner, Ralf Wanzenböck, Sebastian Bichelmaier, Marco Arrigoni, Hadrián Montes-Campos, Jesús Carrete, Georg K. H. Madsen	High-throughput workflows for materials science with the Atomic Simulation Environment (ASE) and Fireworks
23.08.22	Poster	P09	Adatom geometries for single-atom catalysis on hematite predicted by an evolutionary strategy	Florian Buchner, Ralf Wanzenböck, Jesús Carrete, Georg K. H. Madsen	PSI-k Conference 2022, Lausanne, Switzerland
07.09.22	Talk	P08	Selectivity of olefin conversion reactions – combined experimental and computational efforts	Alexander Genest, Notker Rösch, Günther Rupprechter	15^th Pannonian International Symposium on Catalysis (PISC), Jastrzębia Góra, Poland
23.08.22	Talk	P09	What is the optimal mGGA exchange functional for solids?	Péter Kovács, Fabien Tran, Peter Blaha, Georg K. H. Madsen	PSI-k Conference 2022, Lausanne, Switzerland
23.08.22	Poster	P09	Combining Neural-Network Force Fields with Nested Sampling – Thermodynamics of Materials	Nico Unglert, Georg K. H. Madsen	PSI-k Conference 2022, Lausanne, Switzerland
25.08.22	Poster	P09	Neural-network backed evolutionary search for SrTiO3 surface reconstructions	Ralf Wanzenböck, Jesús Carrete, Marco Arrigoni, Georg K. H. Madsen	PSI-k Conference 2022, Lausanne, Switzerland
25.08.22	Poster	P07	Automated Real-Space Lattice Extraction for Atomic Force Microscopy Images	Marco Corrias, Lorenzo Papa, Igor Sokolovic, Viktor Birschitzky, Alexander Gorfer, Martin Setvin, Michael Schmid, Ulrike Diebold, Michele Reticcioli, Cesare Franchini	PSI-k Conference 2022, Lausanne, Switzerland
25.08.22	Talk	P07	Spontaneous Charge Localization on Polar Surfaces	Michele Reticcioli, Zhichang Wang, Zdenek Jakub, Igor Sokolovic, Matthias Meier, Gareth S. Parkinson, Michael Schmid, Dominik Wrana, Lynn A. Boatner, Ulrike Diebold, Martin Setvin, Cesare Franchini	PSI-k Conference 2022, Lausanne, Switzerland
25.08.22	Poster	P07	Machine learning for exploring small polaron configurational space	Viktor C. Birschitzky, Florian Ellinger, Ulrike Diebold, Michele Reticcioli, Cesare Franchini	PSI-k Conference 2022, Lausanne, Switzerland
07.09.22	Poster	P07	Spontaneous Charge Localization on Polar Surfaces: charge density waves, polarons and bipolarons	Michele Reticcioli, Zhichang Wang, Michael Schmid, Dominik Wrana, Lynn A. Boatner, Ulrike Diebold, Martin Setvin, Cesare Franchini	DPG Meeting 2022 (Regensburg, Germany)