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

• The CAT and SOD nanozymatic activities of nanoceria

  Khoa Ta (Speaker), Lisa Gillie (Contributor to Paper or Presentation), David Cooke (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)

  3 Jul 2024

  Activity: Talk or presentation types › Oral presentation

• 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

• Goldschmidt2023

  Marco Molinari (Chair)

  13 Jul 2023 → 14 Jul 2023

  Activity: Participating in or organising an event types › Participating in a conference, workshop, ...

• Structure and stability of grain boundaries in doped fluorite crystals from atomistic simulation

  Tom Underwood (Speaker), Susanna Vigorito (Contributor to Paper or Presentation), Marco Molinari (Contributor to Paper or Presentation), John A. Purton (Contributor to Paper or Presentation) & Stephen C. Parker (Contributor to Paper or Presentation)

  13 Jul 2023

  Activity: Talk or presentation types › Oral presentation

• Modelling Morphology and Surface Speciation of Nanoparticles

  Marco Molinari (Speaker), Samuel Moxon (Contributor to Paper or Presentation) & Stephen C. Parker (Contributor to Paper or Presentation)

  13 Jul 2023

  Activity: Talk or presentation types › Invited talk

• Materials Chemistry Consortium 5th Conference

  Marco Molinari (Chair)

  30 Jun 2023

  Activity: Participating in or organising an event types › Participating in a conference, workshop, ...

• The effect of ceria surface composition on scavenging reactive oxygen species

  Khoa Ta (Speaker), David Cooke (Contributor to Paper or Presentation), Lisa Gillie (Contributor to Paper or Presentation), Roger Phillips (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)

  29 Jun 2023

  Activity: Talk or presentation types › Oral presentation

• Optical Overhauser DNP for volume-limited samples

  Daniel Cheney (Speaker) & Christopher Wedge (Speaker)

  27 Apr 2023

  Activity: Talk or presentation types › Oral presentation

• UK Research and Innovation (External organisation)

  Christopher Wedge (Member)

  6 Mar 2023 → …

  Activity: Membership types › Membership of committee

• Modelling the evolution of oxide nanoparticles in the presence adsorbed molecules

  Marco Molinari (Speaker)

  6 Feb 2023

  Activity: Talk or presentation types › Invited talk

• PhD external examiner, Department of Chemistry, University of York

  Christopher Wedge (Examiner)

  25 Jan 2023

  Activity: Examination types › PhD Examination

• Enhancing solution state NMR sensitivity: optical pumping to overcome the Boltzmann limit

  Christopher Wedge (Speaker)

  13 Jan 2023

  Activity: Talk or presentation types › Invited talk

• Advances in Optical Overhauser Dynamic Nuclear Polarization

  Christopher Wedge (Speaker)

  10 Jan 2023

  Activity: Talk or presentation types › Invited talk

• 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

• The influence of water, carbon dioxide and hydrogen peroxide on the morphology of cerium oxide nanoparticle

  Marco Molinari (Speaker), Samuel Moxon (Contributor to Paper or Presentation), Stephen C. Parker (Contributor to Paper or Presentation) & David Cooke (Contributor to Paper or Presentation)

  7 Sep 2022

  Activity: Talk or presentation types › Oral 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

• Composites made of Polyaniline and SrTiO3: Thermoelectric Abilities

  Nathan Wood (Speaker), Joshua Tse (Contributor to Paper or Presentation), Jonathan Skelton (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 › Oral 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

• A first-principles study of the impact of Frenkel and Schottky defects on the thermal properties of ceria

  Thomas Smith (Speaker), Samuel Moxon (Contributor to Paper or Presentation), Joshua Tse (Contributor to Paper or Presentation), Jonathan Skelton (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 › Oral presentation

• Ethylenediamine series as additives to control the morphology of magnetite

  David Cooke (Speaker), Laura Norfolk (Contributor to Paper or Presentation), Klaudia Kapusta (Contributor to Paper or Presentation) & Sarah Staniland (Contributor to Paper or Presentation)

  7 Sep 2022

  Activity: Talk or presentation types › Oral presentation

• A DFT study on the stability and vibrational fingerprint of phosphate species on the surfaces of Ceria

  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)

  6 Sep 2022

  Activity: Talk or presentation types › Oral presentation

• CCP5 Annual General Meeting 2022, 42nd edition

  Marco Molinari (Organiser), David Cooke (Organiser) & Alin-Marin Elena (Organiser)

  5 Sep 2022 → 7 Sep 2022

  Activity: Participating in or organising an event types › Organising a conference, workshop, ...

• Phosphate adsorption on {111}, {110}, and {100} surfaces of ceria: A DFT study

  Khoa Ta (Speaker), Samuel Moxon (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)

  6 Jul 2022

  Activity: Talk or presentation types › Oral presentation

• The thermoelectric properties of Polyaniline-SrTiO3 composites

  Nathan Wood (Speaker), Joshua Tse (Contributor to Paper or Presentation), Jonathan Skelton (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)

  6 Jul 2022

  Activity: Talk or presentation types › Oral 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

• Magnetic properties of cubic plutonium hydrides: A density functional theory study

  Thomas Smith (Speaker), David Cooke (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)

  13 Apr 2021

  Activity: Talk or presentation types › Oral presentation

• Adsorption of water, carbon dioxide and hydrogen peroxide on PuO2 surfaces: A density functional theory study

  Samuel Moxon (Speaker), Stephen Parker (Contributor to Paper or Presentation), David Cooke (Contributor to Paper or Presentation) & Marco Molinari (Contributor to Paper or Presentation)

  13 Apr 2021

  Activity: Talk or presentation types › Oral 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

• Safe Storage of Actinides; A Challenge for the Nuclear Industry

  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 › Oral 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

• Biochemical Society Transactions (Journal)

  George Psakis (Reviewer)

  13 Oct 2019

  Activity: Publication peer-review and editorial work types › Publication Peer-review

• Morphology of PuO2 Nanoparticles due to CO2 Interaction

  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 Sep 2019

  Activity: Talk or presentation types › Oral 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

• Bioscience Reports (Journal)

  George Psakis (Reviewer)

  24 Jul 2019

  Activity: Publication peer-review and editorial work types › Publication Peer-review

• 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

• Surfin Workshop: Atomistic Insights into Processes at Minerals and Materials Surfaces and Interfaces

  Marco Molinari (Organiser), David Cooke (Organiser) & Samuel Moxon (Organiser)

  17 Jun 2019

  Activity: Participating in or organising an event types › Organising a conference, workshop, ...

• 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

• Characterisation of novel synthetic TRPV1 binding proteins

  Georgios Psakis (Examiner)

  29 Nov 2018

  Activity: Examination types › PhD Examination

• North of England Cell Biology Forum 2018

  Simon Allison (Organiser) & Christopher Cooper (Participant)

  29 Aug 2018

  Activity: Participating in or organising an event types › Organising a conference, workshop, ...

• Medicinal Chemistry (Journal)

  Georgios Psakis (Reviewer)

  30 Mar 2017

  Activity: Publication peer-review and editorial work types › Publication Peer-review

• Scientific Reports (Journal)

  Georgios Psakis (Reviewer)

  3 Mar 2017

  Activity: Publication peer-review and editorial work types › Publication Peer-review

• The thousand faces of Voltage-Dependent Anion channels (VDACs)

  Georgios Psakis (Speaker)

  25 Nov 2016

  Activity: Talk or presentation types › Invited talk

• Cloning, expression, refolding and purification of Arabidopsis voltage-dependent anion channels

  Georgios Psakis (Speaker)

  16 Dec 2015 → 17 Dec 2015

  Activity: Talk or presentation types › Invited talk