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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• Collective interactions in magnetic transition metal oxides

  Cesare Franchini (Speaker)

  26 Nov 2023 → 29 Nov 2023

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Spatial distribution of interacting defects using Machine Learning

  Cesare Franchini (Speaker)

  24 Sep 2023 → 27 Sep 2023

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Computational Modelling of Quantum Oxides

  Cesare Franchini (Speaker)

  17 Sep 2023 → 20 Sep 2023

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Multipolar magnetism in spin-orbit entangled oxides

  Cesare Franchini (Speaker)

  4 Sep 2023 → 8 Sep 2023

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Auxiliary Field Quantum Monte Carlo: towards chemical precision in solids

  Georg Kresse (Speaker)

  17 Aug 2023 → 18 Aug 2023

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Polarons in Magnetic Materials

  Michele Reticcioli (Speaker)

  Aug 2023 → …

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Electronic States and Polarons on Polar Surfaces

  Michele Reticcioli (Speaker)

  Jul 2023 → …

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

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

  Cesare Franchini (Speaker)

  4 May 2023 → 11 May 2023

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Polarons and the Surface Reactivity of Oxides: Recent Results and Novel Computational Approaches

  Michele Reticcioli (Speaker)

  Mar 2023 → …

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Electronic States and Polarons on Polar Surfaces

  Michele Reticcioli (Speaker)

  Mar 2023 → …

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Total Variation Denoising and Microscopy Image Analysis

  Marco Corrias (Speaker)

  13 Feb 2023

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• DANSers - How does a push-pull functionalized stilbene adsorb and absorb on a silica glass surface?

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

  1 Feb 2023

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Anti-Relativistic Jahn-Teller Polaron in a Spin-Orbit Entangled Oxide

  Lorenzo Celiberti (Speaker)

  2023 → …

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Polarons in Quantum Magnets

  Lorenzo Celiberti (Speaker)

  2023 → …

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

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

  Lorenzo Celiberti (Speaker)

  2023 → …

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

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

  Lorenzo Celiberti (Speaker)

  2023 → …

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• An orbital-based representation of changes in electronic structure for improved Δ-machine learning approaches

  Konstantin Karandashev (Speaker)

  6 Sep 2022 → 9 Sep 2022

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Distribution of Charge and Lattice Defects via Machine Learning

  Michele Reticcioli (Speaker)

  Sep 2022

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Novel Polaronic Effects in Perovskites

  Michele Reticcioli (Speaker)

  Sep 2022

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Machine learning density functionals from the random-phase approximation

  Stefan Riemelmoser (Speaker)

  23 Aug 2022

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• An orbital-based representation of changes in electronic structure for improved Δ-machine learning approaches

  Konstantin Karandashev (Speaker)

  22 Aug 2022 → 25 Aug 2022

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Spontaneous Charge Localization on Polar Surfaces

  Michele Reticcioli (Speaker)

  Aug 2022 → …

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Spontaneous Localization of Intrinsic Excess Charge on Polar Surfaces

  Michele Reticcioli (Speaker)

  Jun 2022

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Adsorption of 4-(N,N-Dimethylamino)-4′- nitrostilbene on amorphous silica glass surface

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

  31 May 2022

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Machine learning density functionals from the random-phase approximation

  Stefan Riemelmoser (Speaker)

  17 Mar 2022

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Small polaron formation in 5d spin-orbit coupled omsates

  Lorenzo Celiberti (Speaker)

  2022 → …

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Models to navigate chemical compound space

  Otto Anatole von Lilienfeld-Toal (Speaker)

  10 Nov 2021

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Polarons and how to find them

  Michele Reticcioli (Speaker)

  29 Oct 2021

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Models to navigate chemical compound space

  Otto Anatole von Lilienfeld-Toal (Speaker)

  26 Oct 2021

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Models to navigate chemical compound space

  Otto Anatole von Lilienfeld-Toal (Speaker)

  22 Oct 2021

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Models to navigate chemical compound space

  Otto Anatole von Lilienfeld-Toal (Speaker)

  11 Oct 2021

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Polarons in TACO: Properties, Effects and promising novel Recipes

  Michele Reticcioli (Speaker)

  27 Sep 2021

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Models to navigate chemical compound space

  Otto Anatole von Lilienfeld-Toal (Speaker)

  27 Sep 2021 → 28 Sep 2021

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Polarons in Materials

  Michele Reticcioli (Speaker)

  2 Aug 2021

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Models to navigate chemical compound space

  Otto Anatole von Lilienfeld-Toal (Speaker)

  15 Jul 2021

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Models to navigate chemical compound space

  Otto Anatole von Lilienfeld-Toal (Speaker)

  14 Jul 2021

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Quantum machine learning in chemical space

  Otto Anatole von Lilienfeld-Toal (Speaker)

  14 Jul 2021

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Machine Learning from Quantum Chemistry

  Otto Anatole von Lilienfeld-Toal (Speaker)

  8 Jul 2021

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Models to navigate chemical compound space

  Otto Anatole von Lilienfeld-Toal (Speaker)

  7 Jun 2021

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Influence of Polarons on Adsorption

  Michele Reticcioli (Speaker)

  20 May 2021

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Models to navigate chemical compound space

  Otto Anatole von Lilienfeld-Toal (Speaker)

  16 Apr 2021

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• DiagMC for polaron models: Acoustic lattice polaron

  Thomas Hahn (Speaker)

  15 Apr 2021

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Models to navigate chemical compound space

  Otto Anatole von Lilienfeld-Toal (Speaker)

  14 Apr 2021

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Models to navigate chemical compound space

  Otto Anatole von Lilienfeld-Toal (Speaker)

  23 Mar 2021

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Tracking Polarons: a Machine Learning Application in Quantum Materials Modeling.

  Michele Reticcioli (Speaker)

  Mar 2021

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Quantum machine learning using atom-in-molecule-based fragments (AMons) selected on the fly

  Otto Anatole von Lilienfeld-Toal (Speaker)

  26 Jan 2021

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Models to navigate chemical compound space

  Otto Anatole von Lilienfeld-Toal (Speaker)

  9 Dec 2020

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Models to navigate chemical compound space

  Otto Anatole von Lilienfeld-Toal (Speaker)

  3 Dec 2020

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Models to navigate chemical compound space

  Otto Anatole von Lilienfeld-Toal (Speaker)

  28 Sep 2020

  Activity: Talks and presentations › Talk or oral contribution › Science to Science

• Models to navigate chemical compound space

  Otto Anatole von Lilienfeld-Toal (Speaker)

  24 Sep 2020

  Activity: Talks and presentations › Talk or oral contribution › Science to Science