Friday 23 October 2020

• 14:00 - New Perspectives on Phonons
  Dr Bartomeu Monserrat (University of Cambridge)
  Oxford Advanced Materials Network

Friday 13 November 2020

• 14:00 - Exciton Diffusion in Organic Crystals from First Principles Many-Body Perturbation Theory
  Jonah Haber (University of California)
  Oxford Advanced Materials Network

Friday 27 November 2020

• 14:00 - Simulating OLEDs using Wavelet-Based Density Functional Theory: From Core Spectroscopy to Large Systems
  Dr Laura Ratcliff (Imperial College London)
  Oxford Advanced Materials Network

Friday 4 December 2020

• 14:00 - Unveiling Pressure-Induced Transitions in Bulk MoTe2 and SnSe2
  Dr Roxana Margine (SUNY Binghampton)
  Oxford Advanced Materials Network

Friday 29 January 2021

• 14:00 - Exploring Composition–Structure–Property Relationships in Battery Materials: Solid Electrolytes, Li-Rich Cathodes, and Grain Boundaries
  There will be an informal discussion via gather.town following the seminar. You will be able to join this discussion immediately after the seminar via the following link: https://gather.town/app/WoMDHKOV2Oxlj3mY/MMLSeminars – this link is password protected and the password will be given out during the seminar. We hope you will join us for an interesting and lively discussion.
  Dr Ben Morgan (University of Bath)
  Oxford Advanced Materials Network

Friday 26 February 2021

• 14:00 - The Wadsley-Roth niobates for stable, fast lithium-ion diffusion battery anodes: first principles modelling combined with experiment
  Andrew Morris
  Oxford Advanced Materials Network

Friday 12 March 2021

• 14:00 - Atomistic Spin Dynamics for Quantitative Modelling of Magnetic Materials
  Dr Joe Barker (University of Leeds)
  Oxford Advanced Materials Network

Friday 7 May 2021

• 14:00 - Thermodynamic properties by on-the-fly machine-learned interatomic potentials: thermal transport and phase transitions
  Dr Carla Verdi (University of Vienna)
  Oxford Advanced Materials Network

Friday 21 May 2021

• 14:00 - Orbital-free density functional theory: Background, challenges, and application to crystal structure prediction
  Dr Chuck Witt (University of Cambridge)

Friday 4 June 2021

• 14:00 - A first principles perspective on metal halide perovskites: Challenges, results, and surprises
  Dr Linn Leppert (University of Twente)
  Oxford Advanced Materials Network

Friday 18 June 2021

• 14:00 - Massively parallel atomistic simulations of complex magnets
  Dr Richard Evans (University of York)

Tuesday 26 October 2021

• 14:00 - Title TBC
  Status: This talk is in preparation - details may change
  TBA

Friday 4 November 2022

• 14:00 - Using a symmetry-based approach to identify structural prototypes from first principles
  Dr Michele Kotiuga (THEOS, EPFL)
  Oxford Advanced Materials Network

Friday 18 November 2022

• 14:00 - Materials informatics: Moving beyond screening via generative machine learning models
  Professor Taylor Sparks (The University of Utah)

Friday 2 December 2022

• 14:00 - Modelling spin-control by ferroelectric switching
  Professor Katherine Inzani (University of Nottingham)
  Oxford Advanced Materials Network