Marco Molinari

Activities

Activities per year 2016 2019 2021 2022 2023

• 18 Poster presentation
• 13 Oral presentation
• 3 Organising a conference, workshop, ...
• 3 Membership of committee
• 3 More
  • 2 Visiting Appointment
  • 1 Invited talk

Activities per year

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

  Marco Molinari (Speaker)

  6 Feb 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 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

• 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 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

• Straining Ceria Surfaces: a Density Functional Theory Study

  Sidra Munir (Speaker), Khoa Ta (Contributor to Paper or Presentation), Thomas Smith (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

• 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, ...

• 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

• 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

• An ab initio investigation of the impact of intrinsic defects on the thermal properties of CeO2

  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)

  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

• 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 2021

  Activity: Talk or presentation types › Poster presentation

• UK-V4 Frontiers of Science 2021

  Marco Molinari (Chair) & Maria Omastova (Chair)

  10 Jun 2021 → 11 Jun 2021

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

• Nottingham Trent University

  Marco Molinari (Visiting Research Fellow)

  30 Apr 2021 → …

  Activity: External Appointments and Visits › Visiting Appointment

• Modelling the evolution of cerium oxide nanoparticle morphology in the presence water, carbon dioxide and hydrogen peroxide

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

  14 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

• 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

• 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)

  7 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

• 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

• 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

• HEC Materials Chemistry Consortium (External organisation)

  Marco Molinari (Member)

  Jan 2020 → …

  Activity: Membership types › Membership of committee

• 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

• 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

• 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, ...

• 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

• Royal Society of Chemistry Huddersfield Local Section Committee (External organisation)

  Marco Molinari (Member)

  Jul 2018 → Jul 2022

  Activity: Membership types › Membership of committee

• Collaborative Computational Project 5 (External organisation)

  Marco Molinari (Member)

  Feb 2017 → Feb 2020

  Activity: Membership types › Membership of committee

• University of Bath

  Marco Molinari (Visiting Research Fellow)

  1 Oct 2016 → 30 Sep 2019

  Activity: External Appointments and Visits › Visiting Appointment