Structural, Molecular and Dynamic Modelling Centre

Activities

Activities per year 2007 2019 2021 2022 2023 2024

• 17 Poster presentation
• 16 Oral presentation
• 6 Invited talk
• 5 Organising a conference, workshop, ...
• 13 More
  • 4 Publication Peer-review
  • 3 External Co-supervision
  • 2 Participating in a conference, workshop, ...
  • 2 PhD Examination
  • 1 Membership of committee
  • 1 Membership of a Society or Institute

Activities per year

Search results

• Direct Determination of the Rate Of Intersystem Crossing In a Near-IR Luminescent Cr(III) Triazolyl Complex

  Robert Jones (Contributor to Paper or Presentation), Alexander Auty (Contributor to Paper or Presentation), Guanzhi Wu (Contributor to Paper or Presentation), Petter Persson (Contributor to Paper or Presentation), Martin Appleby (Contributor to Paper or Presentation), Craig Rice (Contributor to Paper or Presentation), Paul Elliott (Contributor to Paper or Presentation), Julia A. Weinstein (Contributor to Paper or Presentation) & Paul Scattergood (Contributor to Paper or Presentation)

  18 Dec 2023

  Activity: Talk or presentation types › Poster presentation

• 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 2022

  Activity: Talk or presentation types › Poster presentation

• 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 2022

  Activity: Talk or presentation types › Poster presentation

• 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 2022

  Activity: Talk or presentation types › Poster presentation

• 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 2022

  Activity: Talk or presentation types › Poster presentation

• 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 2021

  Activity: Talk or presentation types › Poster presentation

• 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 2021

  Activity: Talk or presentation types › Poster presentation

• 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 2021

  Activity: Talk or presentation types › Poster presentation

• 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 2021

  Activity: Talk or presentation types › Poster presentation

• 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 2020

  Activity: Talk or presentation types › Poster presentation

• 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 2020

  Activity: Talk or presentation types › Poster presentation

• 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 2019

  Activity: Talk or presentation types › Poster presentation

• 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 2019

  Activity: Talk or presentation types › Poster presentation

• 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 2019

  Activity: Talk or presentation types › Poster presentation

• 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 2019

  Activity: Talk or presentation types › Poster presentation

• 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 2019

  Activity: Talk or presentation types › Poster presentation

• 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 2018

  Activity: Talk or presentation types › Poster presentation