Computational Materials Physics

Activities

Activities per year 1986 2006 2008 2009 2010 2012 2014 2015 2016 2017 2018 2023

• 623 Talk or oral contribution
• 176 Poster presentation
• 30 Organisation of ...
• 22 Participation in ...
• 41 More
  • 15 Publication peer-review
  • 14 Research
  • 5 Other
  • 3 Editor of journal or series
  • 3 Teaching
  • 1 Research organization

Activities per year

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• Overview of UNIVIE in BIG-MAP

  Konstantin Karandashev (Speaker)

  24 Oct 2023 → 25 Oct 2023

  Activity: Talks and presentations › Poster presentation › Science to Science

• Revealing the Sunset Dance of a Push-Pull Stilbene on an Amorphous Silica Glass Surface

  Dóra Vörös (Contributor), F. Proché (Contributor), Andrea Angeletti (Contributor), Sebastian Mai (Contributor), Cesare Franchini (Contributor) & Leticia Gonzalez Herrero (Contributor)

  17 Oct 2023

  Activity: Talks and presentations › Poster presentation › Science to Science

• Long-range Electrostatic Descriptors for Machine Learning Force Fields

  Carolin Faller (Speaker)

  17 Oct 2023

  Activity: Talks and presentations › Poster presentation › Science to Science

• Long-range Electrostatic Descriptors for Machine Learning Force Fields

  Carolin Faller (Speaker)

  24 Sep 2023 → 27 Sep 2023

  Activity: Talks and presentations › Poster presentation › Science to Science

• Automatic real-space lattice Extraction and atom counting for AFM images

  Marco Corrias (Speaker)

  24 Sep 2023 → 27 Sep 2023

  Activity: Talks and presentations › Poster presentation › Science to Science

• Polarons and Defects via Machine Learning: Predicting the TiO$_2$(110) Surface at the Large Scale

  Viktor Christian Birschitzky (Speaker)

  24 Sep 2023 → 27 Sep 2023

  Activity: Talks and presentations › Poster presentation › Science to Science

• Exploring How Molecules Interact with Surfaces: A Study of Push-Pull Functionalized Stilbene on Silica Glass

  Dóra Vörös (Contributor), F. Proché (Contributor), Andrea Angeletti (Contributor), Cesare Franchini (Contributor), Sebastian Mai (Contributor) & Leticia Gonzalez Herrero (Contributor)

  6 Jul 2023

  Activity: Talks and presentations › Poster presentation › Science to Science

• Automatic real-space lattice Extraction and atom counting for AFM images

  Marco Corrias (Speaker)

  3 Jul 2023 → 7 Jul 2023

  Activity: Talks and presentations › Poster presentation › Science to Science

• Automatic real-space lattice Extraction and atom counting for AFM images

  Marco Corrias (Speaker)

  23 May 2023 → 26 May 2023

  Activity: Talks and presentations › Poster presentation › Science to Science

• Automatic real-space lattice Extraction and atom counting for AFM images

  Marco Corrias (Speaker)

  22 May 2023 → 26 May 2023

  Activity: Talks and presentations › Poster presentation › Science to Science

• An orbital-based representation for accurate Quantum Machine Learning

  Konstantin Karandashev (Speaker)

  19 Apr 2023 → 21 Apr 2023

  Activity: Talks and presentations › Poster presentation › Science to Science

• Understanding the role of amorphous SiO2 surface on the ad(b)sorption of a photoswitcher DANSing molecule

  Dóra Vörös (Contributor), Andrea Angeletti (Contributor), Cesare Franchini (Contributor), Sebastian Mai (Contributor) & Leticia Gonzalez Herrero (Contributor)

  20 Mar 2023

  Activity: Talks and presentations › Poster presentation › Science to Science

• Understanding structure property relations from a quantum alchemy based atomic partitioning scheme

  Michael Sahre (Contributor), Guido Falk von Rudorff (Contributor), Otto Anatole von Lilienfeld-Toal (Contributor) & Philipp Marquetand (Contributor)

  20 Mar 2023

  Activity: Talks and presentations › Poster presentation › Science to Science

• Machine Learning the Polaron-Defect Interaction: Oxygen Vacancies on Rutile TiO2(110)

  Viktor Christian Birschitzky (Speaker)

  12 Feb 2023 → 15 Feb 2023

  Activity: Talks and presentations › Poster presentation › Science to Science

• Hard antiphase domain boundaries in strontium titanate unravelled using machine-learned force fields

  Andreas Tröster (Contributor), Carla Verdi (Contributor), Christoph Dellago (Contributor), Georg Kresse (Contributor) & Wilfried Schranz (Contributor)

  12 Feb 2023 → 15 Feb 2023

  Activity: Talks and presentations › Poster presentation › Science to Science

• Janh-Teller polaron in the spin-orbit multipolar magnetic oxide Ba2NaOsO6

  Lorenzo Celiberti (Speaker)

  2023 → …

  Activity: Talks and presentations › Poster presentation › Science to Science

• Hard antiphase domain boundaries in strontium titanate unravelled using machine-learned force fields

  Andreas Tröster (Contributor), Carla Verdi (Contributor), Christoph Dellago (Contributor), Georg Kresse (Contributor) & Wilfried Schranz (Contributor)

  26 Sep 2022 → 30 Sep 2022

  Activity: Talks and presentations › Poster presentation › Science to Science

• Understanding covalent bonding with computational alchemy

  Michael Sahre (Contributor), Guido Falk von Rudorff (Contributor) & A. von Lilienfeld (Contributor)

  18 Sep 2022

  Activity: Talks and presentations › Poster presentation › Science to Science

• 4-(N,N-Dimethylamino)-4'-Nitrostilbene on an Amorphous Silica Glass Surface and its Photochemistry

  Dóra Vörös (Contributor), Andrea Angeletti (Contributor), Cesare Franchini (Contributor), Sebastian Mai (Contributor) & Leticia Gonzalez Herrero (Contributor)

  18 Sep 2022

  Activity: Talks and presentations › Poster presentation › Science to Science

• Short lifetime of a monovacancy in phosphorene

  Lukas Kyvala (Contributor), Andrea Angeletti (Contributor), Cesare Franchini (Contributor) & Christoph Dellago (Contributor)

  14 Sep 2022 → 16 Sep 2022

  Activity: Talks and presentations › Poster presentation › Science to Science

• Zero-point Renormalization of the Band Gap of Semiconductors and Insulators Using the PAW Method

  Manuel Engel (Speaker)

  22 Aug 2022 → 25 Aug 2022

  Activity: Talks and presentations › Poster presentation › Science to Science

• Hard antiphase domain boundaries in strontium titanate unravelled using machine-learned force fields

  Andreas Tröster (Contributor), Carla Verdi (Contributor), Christoph Dellago (Contributor), Georg Kresse (Contributor) & Wilfried Schranz (Contributor)

  22 Aug 2022 → 25 Aug 2022

  Activity: Talks and presentations › Poster presentation › Science to Science

• Monovacancies in phosphorene: molecular dynamics study via machine learning

  Lukas Kyvala (Contributor), Andrea Angeletti (Contributor), Cesare Franchini (Contributor) & Christoph Dellago (Contributor)

  13 Jun 2022 → 15 Jun 2022

  Activity: Talks and presentations › Poster presentation › Science to Science

• Hard antiphase domain boundaries in strontium titanate unravelled using machine-learned force fields

  Andreas Tröster (Contributor), Carla Verdi (Contributor), Christoph Dellago (Contributor), Georg Kresse (Contributor) & Wilfried Schranz (Contributor)

  3 Apr 2022 → 6 Apr 2022

  Activity: Talks and presentations › Poster presentation › Science to Science

• Spin-Orbit coupled polaron in a 5d1 Osmate

  Lorenzo Celiberti (Speaker)

  2022 → …

  Activity: Talks and presentations › Poster presentation › Science to Science

• Structural analysis of hard antiphase domain wall profiles in SrTiO3 obtained from DFT+ML

  Andreas Tröster (Contributor), Carla Verdi (Contributor), Christoph Dellago (Contributor), Wilfried Schranz (Contributor) & Georg Kresse (Contributor)

  27 Sep 2021 → 28 Sep 2021

  Activity: Talks and presentations › Poster presentation › Science to Science

• Beating speed limits for Abrikosov vortices in superconducting thin films via edge-barrier engineering

  Barbora Budinská (Invited speaker), Bernd Aichner (Contributor), Denis Yu. Vodolazov (Contributor), Mikhail Yu. Mikhailov (Contributor), Fabrizio Porrati (Contributor), Michael Huth (Contributor), Wolfgang Lang (Contributor), Andrii Chumak (Contributor) & Oleksandr Dobrovolskiy (Contributor)

  31 Aug 2021 → 2 Sep 2021

  Activity: Talks and presentations › Poster presentation › Science to Science

• High-throughput ab-initio computation of potential energy surfaces at solid/solid interfaces

  Michael Wolloch (Speaker), Gabriele Losi (Contributor), Omar Chehaimi (Contributor), Mauro Ferrario (Contributor) & M. Clelia Righi (Contributor)

  2 Mar 2021

  Activity: Talks and presentations › Poster presentation › Science to Science

• Intrinsic Excess charge on polar surfaces: charge density waves, polarons and bipolarons

  Michele Reticcioli (Speaker)

  Mar 2021

  Activity: Talks and presentations › Poster presentation › Science to Science

• RPA-OEP for solids

  Stefan Riemelmoser (Speaker)

  24 Feb 2021

  Activity: Talks and presentations › Poster presentation › Science to Science

• Neural Network-Based Study of Point Defect Diffusion in Lead Telluride and Cadmium Telluride

  Marcin Seweryn Minkowski (Contributor), Kerstin Hummer (Contributor) & Christoph Dellago (Contributor)

  9 Sep 2019

  Activity: Talks and presentations › Poster presentation › Science to Science

• Range-Separated Density Functional Theory

  Stefan Riemelmoser (Contributor)

  9 Sep 2019

  Activity: Talks and presentations › Poster presentation › Science to Science

• The impact of polarons and charge trapping on oxide surfaces

  Michele Reticcioli (Contributor), Igor Sokolovic (Contributor), Michael Schmid (Contributor), Martin Setvin (Contributor), Ulrike Diebold (Contributor) & Cesare Franchini (Contributor)

  4 Sep 2019

  Activity: Talks and presentations › Poster presentation › Science to Science

• Finite temperature structure of Hybrid Perovskites from ab-initio and classical MD

  Jonathan Lahnsteiner (Contributor), Georg Kresse (Contributor), Jurn Heinen (Contributor) & Menno Bokdam (Contributor)

  4 Apr 2019

  Activity: Talks and presentations › Poster presentation › Science to Science

• Quantum Magnetism in Osmates Double Perovskites

  Dario Fiore Mosca (Contributor), Cesare Franchini (Contributor) & Sergii Khmelevskyi (Contributor)

  2019

  Activity: Talks and presentations › Poster presentation › Science to Science

• Calculating forces in the random phase approximation in solids

  Benjamin Ramberger (Contributor) & Georg Kresse (Contributor)

  17 Oct 2018

  Activity: Talks and presentations › Poster presentation › Science to Science

• Finite temperature structure of hybrid perovskites from ab-initio and classical MD

  Jonathan Lahnsteiner (Contributor), Georg Kresse (Contributor) & Menno Bokdam (Contributor)

  10 Sep 2018

  Activity: Talks and presentations › Poster presentation › Science to Science

• Non-Markovian Dephasing in Solids Excited by a Few-Cycle Laser Pulse

  Stanislav Kruchinin (Contributor)

  Sep 2018

  Activity: Talks and presentations › Poster presentation › Science to Science

• Non-Markovian Dephasing in a Dielectric Excited by a Few-Cycle Laser Pulse

  Stanislav Kruchinin (Contributor)

  Aug 2018

  Activity: Talks and presentations › Poster presentation › Science to Science

• Diagrammatic Monte Carlo study of the Fröhlich polaron dispersion in 2D and 3D

  Thomas Hahn (Contributor), Serghei Klimin (Contributor), Jaques Tempere (Contributor), J. T. Devreese (Contributor) & Cesare Franchini (Contributor)

  2 Jul 2018

  Activity: Talks and presentations › Poster presentation › Science to Science

• Theoretical Framework for Classification and Prediction of Ultrafast and Strong-Field Phenomena in Solids

  Stanislav Kruchinin (Contributor), Ferenc Krausz (Contributor) & Vladislav S. Yakovlev (Contributor)

  Jul 2018

  Activity: Talks and presentations › Poster presentation › Science to Science

• Calculating forces in the random phase approximation in solids

  Benjamin Ramberger (Contributor) & Georg Kresse (Contributor)

  5 Apr 2018

  Activity: Talks and presentations › Poster presentation › Science to Science

• Diagrammatic Monte Carlo study of the Fröhlich polaron dispersion in 2D and 3D

  Thomas Hahn (Contributor), Serghei Klimin (Contributor), Jaques Tempere (Contributor), J. T. Devreese (Contributor) & Cesare Franchini (Contributor)

  20 Mar 2018

  Activity: Talks and presentations › Poster presentation › Science to Science

• Polaron-mediated surface reconstruction in the reduced Rutile TiO2(110) surface

  Michele Reticcioli (Contributor)

  19 Mar 2018

  Activity: Talks and presentations › Poster presentation › Science to Science

• Calculating forces in the random phase approximation in solids

  Benjamin Ramberger (Contributor) & Georg Kresse (Contributor)

  9 Jan 2018

  Activity: Talks and presentations › Poster presentation › Science to Science

• Low complexity algorithms for MP2 applied to 3D periodic materials

  Tobias Schäfer (Contributor)

  2018

  Activity: Talks and presentations › Poster presentation › Science to Science

• Low complexity algorithms for MP2 applied to 3D periodic materials

  Tobias Schäfer (Contributor)

  2018

  Activity: Talks and presentations › Poster presentation › Science to Science

• Low complexity algorithms for MP2 applied to 3D periodic materials

  Tobias Schäfer (Contributor)

  2018

  Activity: Talks and presentations › Poster presentation › Science to Science

• Advanced Ab-Initio Molecular Dynamics Techniques applied to MAPbI3

  Jonathan Lahnsteiner (Contributor)

  30 Oct 2017

  Activity: Talks and presentations › Poster presentation › Science to Science

• Assessing density functionals using many body theory for hybrid perovskites

  Menno Bokdam (Contributor), Benjamin Ramberger (Contributor) & Georg Kresse (Contributor)

  19 Oct 2017

  Activity: Talks and presentations › Poster presentation › Science to Science