Activities per year
- 17 results
Search results
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The magnetic properties of cubic PuH2 and PuH3: a first-principles investigation
Thomas Smith (Speaker), Samuel Moxon (Contributor to Paper or Presentation), David Cooke (Contributor to Paper or Presentation), Robert M. Harker (Contributor to Paper or Presentation), Mark T. Storr (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)
7 Sep 2022Activity: Talk or presentation types › Poster presentation
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A rigid-ion model for mixing SrTiO3 with PANI
Nathan Wood (Speaker), Joshua Tse (Contributor to Paper or Presentation), David Cooke (Contributor to Paper or Presentation), Lisa Gillie (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)
7 Sep 2022Activity: Talk or presentation types › Poster presentation
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Atomistic simulations of structure and stability of coincidence site lattice grain boundaries in CeO2
Susanna Vigorito (Speaker), David Cooke (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)
7 Sep 2022Activity: Talk or presentation types › Poster presentation
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Phosphate Adsorption on Cerium Oxide Surfaces
Khoa Ta (Speaker), Samuel Moxon (Contributor to Paper or Presentation), Roger Phillips (Contributor to Paper or Presentation), David Cooke (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)
7 Sep 2022Activity: Talk or presentation types › Poster presentation
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Engineering the polyaniline:SrTiO3 interface: A density functional theory study
Nathan Wood (Speaker), Joshua Tse (Contributor to Paper or Presentation), David Cooke (Contributor to Paper or Presentation), Lisa Gillie (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)
15 Jul 2021Activity: Talk or presentation types › Poster presentation
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First-principles study of plutonium hydrides
Thomas Smith (Speaker), Samuel Moxon (Contributor to Paper or Presentation), David Cooke (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)
15 Jul 2021Activity: Talk or presentation types › Poster presentation
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Partial-charge rigid-ion potential model for describing the defect chemistry of SrTiO3
Nathan Wood (Speaker), David M. Teter (Contributor to Paper or Presentation), Joshua Tse (Contributor to Paper or Presentation), Robert A. Jackson (Contributor to Paper or Presentation), David Cooke (Contributor to Paper or Presentation), Lisa Gillie (Contributor to Paper or Presentation), Stephen C. Parker (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)
5 Apr 2021Activity: Talk or presentation types › Poster presentation
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Atomistic simulations of structure and stability of coincidence site lattice grain boundaries in CeO2
Susanna Vigorito (Speaker), David Cooke (Contributor to Paper or Presentation), Stephen C. Parker (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)
5 Apr 2021 → 1 May 2021Activity: Talk or presentation types › Poster presentation
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Controlling the shape of cerium oxide nanoparticles using phosphate: A density functional theory study
Khoa Ta (Speaker), Samuel Moxon (Contributor to Paper or Presentation), Roger Phillips (Contributor to Paper or Presentation), David Cooke (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)
Apr 2021Activity: Talk or presentation types › Poster presentation
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Modelling Ce Based Materials using ab initio Calculations
Thomas Smith (Speaker), Joseph Flitcroft (Contributor to Paper or Presentation), Samuel Moxon (Contributor to Paper or Presentation), David Cooke (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)
10 Jan 2020Activity: Talk or presentation types › Poster presentation
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The Interaction of CO2 with PuO2 Surfaces
Samuel Moxon (Speaker), Adam Symington (Contributor to Paper or Presentation), Joshua Tse (Contributor to Paper or Presentation), James Dawson (Contributor to Paper or Presentation), Joseph Flitcroft (Contributor to Paper or Presentation), David Cooke (Contributor to Paper or Presentation), Stephen Parker (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)
10 Jan 2020Activity: Talk or presentation types › Poster presentation
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Simulations of Ce Containing Materials using Density Functional Theory Calculations
Thomas Smith (Speaker), Joseph Flitcroft (Contributor to Paper or Presentation), Samuel Moxon (Contributor to Paper or Presentation), David Cooke (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)
16 Dec 2019 → 17 Dec 2019Activity: Talk or presentation types › Poster presentation
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The Interaction of CO2 with PuO2 Surfaces
Samuel Moxon (Speaker), Adam Symington (Contributor to Paper or Presentation), Joshua Tse (Contributor to Paper or Presentation), James Dawson (Contributor to Paper or Presentation), Joseph Flitcroft (Contributor to Paper or Presentation), David Cooke (Contributor to Paper or Presentation), Stephen Parker (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)
16 Dec 2019 → 17 Dec 2019Activity: Talk or presentation types › Poster presentation
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The Role of CO2 on PuO2 Nanoparticle Morphology: A Prediction via ab initio Modelling
Samuel Moxon (Speaker), Adam Symington (Contributor to Paper or Presentation), Joseph Flitcroft (Contributor to Paper or Presentation), David Cooke (Contributor to Paper or Presentation), Stephen Parker (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)
16 Sep 2019Activity: Talk or presentation types › Poster presentation
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The Interaction of CO2 with Surfaces of PuO2
Samuel Moxon (Speaker), Adam Symington (Contributor to Paper or Presentation), Joseph Flitcroft (Contributor to Paper or Presentation), David Cooke (Contributor to Paper or Presentation), Stephen Parker (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)
17 Jun 2019Activity: Talk or presentation types › Poster presentation
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Assessing the Reliability of Potential Models for Simulating the Vibrational Properties of Uranium Dioxide
Samuel Moxon (Speaker), David Cooke (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)
21 Jan 2019Activity: Talk or presentation types › Poster presentation
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The Reliability of Potential Models on the Vibrational Properties of Actinide Oxides
Samuel Moxon (Speaker), David Cooke (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)
17 Dec 2018Activity: Talk or presentation types › Poster presentation