Publications

116 entries « 1 of 12 »

2024

Global sampling of Feynman's diagrams through normalizing flow

Leoni, Luca; Franchini, Cesare

Global sampling of Feynman's diagrams through normalizing flow

Journal ArticleOpen Access

In: Physical Review Research, vol. 6, iss. 3, pp. 033041, 2024.

Abstract | Links | BibTeX | Tags: P07

Cu-doped perovskite-type oxides: A structural deep dive and examination of their exsolution behaviour influenced by B-site doping

Berger, Tobias; Drexler, Hedda; Ruh, Thomas; Lindenthal, Lorenz; Schrenk, Florian; Bock, Johannes; Rameshan, Raffael; Föttinger, Karin; Irrgeher, Johanna; Rameshan, Christoph

Cu-doped perovskite-type oxides: A structural deep dive and examination of their exsolution behaviour influenced by B-site doping

Journal ArticleOpen Access

In: Catalysis Today, vol. 437, no. 114787, 2024.

Abstract | Links | BibTeX | Tags: P10

Machine-Learning-Backed Evolutionary Exploration of Ti-rich SrTiO3(110) Surface Reconstructions

Wanzenböck, Ralf; Heid, Esther; Riva, Michele; Franceschi, Giada; Imre, Alexander M.; Carrete, Jesús; Diebold, Ulrike; Madsen, Georg K. H.

Machine-Learning-Backed Evolutionary Exploration of Ti-rich SrTiO3(110) Surface Reconstructions

Journal Article

In: ChemRxiv, 2024.

Abstract | Links | BibTeX | Tags: P02, P09

Infrared Reflection Absorption Spectroscopy Setup with Incidence Angle Selection for Surfaces of Non-Metals

Rath, David; Mikerásek, Vojtěch; Wang, Chunlei; Eder, Moritz; Schmid, Michael; Diebold, Ulrike; Parkinson, Gareth S.; Pavelec, Jiří

Infrared Reflection Absorption Spectroscopy Setup with Incidence Angle Selection for Surfaces of Non-Metals

Journal ArticleOpen AccessAccepted Article

In: Review of Scientific Instruments, vol. 95, iss. 6, pp. 065106, 2024.

Abstract | Links | BibTeX | Tags: P02, P04

Duality and degeneracy lifting in two-dimensional electron liquids on SrTiO3(001)

Sokolović, Igor; Guedes, Eduardo B.; van Waas, Thomas P.; Poncé, Samuel; Polley, Craig; Schmid, Michael; Radović, Milan; Setvín, Martin; Dil, J. Hugo

Duality and degeneracy lifting in two-dimensional electron liquids on SrTiO3(001)

Journal ArticleOpen AccessSubmittedarXiv

In: 2024.

Abstract | Links | BibTeX | Tags: P02

Stoichiometric reconstruction of the Al2O3(0001) surface

Hütner, Johanna; Conti, Andrea; Kugler, David; Mittendorfer, Florian; Kresse, Georg; Schmid, Michael; Diebold, Ulrike; Balajka, Jan

Stoichiometric reconstruction of the Al2O3(0001) surface

Journal ArticleOpen AccessSubmittedarXiv

In: 2024.

Abstract | Links | BibTeX | Tags: P02, P03

Machine learning-based prediction of polaron-vacancy patterns on the TiO2(110) surface

Birschitzky, Viktor; Sokolovic, Igor; Prezzi, Michael; Palotas, Krisztian; Setvin, Martin; Diebold, Ulrike; Reticcioli, Michele; Franchini, Cesare

Machine learning-based prediction of polaron-vacancy patterns on the TiO2(110) surface

Journal ArticleOpen Access

In: npj Computational Materials, vol. 10, no. 89, 2024.

Abstract | Links | BibTeX | Tags: P02, P07

Spatially resolved uncertainties for machine learning potentials

Heid, Esther; Schörghuber, Johannes; Wanzenböck, Ralf; Madsen, Georg K. H.

Spatially resolved uncertainties for machine learning potentials

Working paperOpen AccessSubmitted

ChemRxiv, 2024.

Abstract | Links | BibTeX | Tags: P09

Clinamen2: Functional-style evolutionary optimization in Python for atomistic structure searches

Wanzenböck, Ralf; Buchner, Florian; Kovács, Péter; Madsen, Georg K. H.; Carrete, Jesús

Clinamen2: Functional-style evolutionary optimization in Python for atomistic structure searches

Journal ArticleOpen Access

In: Computer Physics Communications, vol. 297, no. 109065, 2024.

Abstract | Links | BibTeX | Tags: P09

LoGAN: Local generative adversarial network for novel structure prediction

Kovács, Péter; Heid, Esther; Madsen, Georg K. H.

LoGAN: Local generative adversarial network for novel structure prediction

Working paperOpen AccessSubmitted

ChemRxiv, 2024.

Abstract | Links | BibTeX | Tags: P09

116 entries « 1 of 12 »