Friday 19 February 2021 (5th Week, Hilary Term)

• 16:00 - Energy transport in low-dimensional halide perovskites
  Dr Liang Tan (Lawrence Berkeley National Laboratory)
  The Atomistic Materials Modelling Seminars (Hosted by the Oxford Materials Design Network)

Friday 19 November 2021 (6th Week, Michaelmas Term)

• 14:00 - High-throughput discovery of superconductors
  Michael Hutcheon (University of Nottingham)
  The Atomistic Materials Modelling Seminars (Hosted by the Oxford Materials Design Network)

Friday 3 December 2021 (8th Week, Michaelmas Term)

• 14:00 - Element selection for crystalline inorganic solid discovery guided by unsupervised machine learning of experimentally explored chemistry
  Dr Andrij Vasylenko (University of Liverpool)
  The Atomistic Materials Modelling Seminars (Hosted by the Oxford Materials Design Network)

Friday 4 February 2022 (3rd Week, Hilary Term)

• 14:00 - Navigating the Ti-C-O and Al-C-O ternary systems through theory-driven discovery
  Dr Joseph Nelson (University of Cambridge)
  The Atomistic Materials Modelling Seminars (Hosted by the Oxford Materials Design Network)

Friday 25 February 2022 (6th Week, Hilary Term)

• 14:00 - Highly accurate protein structure prediction with AlphaFold, and AI for quantum chemistry
  Tim Green (DeepMind)
  The Atomistic Materials Modelling Seminars (Hosted by the Oxford Materials Design Network)

Friday 11 March 2022 (8th Week, Hilary Term)

• 14:00 - Fantastic Electrides and Where to Find Them
  Chengcheng Xiao (Imperial College London)
  The Atomistic Materials Modelling Seminars (Hosted by the Oxford Materials Design Network)

Friday 6 May 2022 (2nd Week, Trinity Term)

• 14:00 - Moiré materials and flat bands: the case of twisted transition metal dichalcogenides bilayers
  Dr Valerio Vitale (Imperial College London)
  The Atomistic Materials Modelling Seminars (Hosted by the Oxford Materials Design Network)

Friday 10 June 2022 (7th Week, Trinity Term)

• 14:00 - Accessing polyanionic redox in high voltage Li-rich thiophosphates
  Dr Pezhman Zarabadi-Poor (University of Oxford)
  The Atomistic Materials Modelling Seminars (Hosted by the Oxford Materials Design Network)

Friday 17 June 2022 (8th Week, Trinity Term)

• 14:00 - Ab initio calculation of the magnetic Gibbs free energy using magnetically constrained supercells: electronic and magnetoelastic mechanisms of first-order transitions
  Dr Eduardo Mendive Tapia (Max-Planck-Institut fur Eisenforshcung, Dusseldorf)
  The Atomistic Materials Modelling Seminars (Hosted by the Oxford Materials Design Network)

Friday 21 October 2022 (2nd Week, Michaelmas Term)

• 14:00 - Creating self-driving materials modelling laboratory using AiiDA
  Dr Pezhman Zarabadi-Poor (University of Oxford)
  The Atomistic Materials Modelling Seminars (Hosted by the Oxford Materials Design Network)

Friday 4 November 2022 (4th Week, Michaelmas Term)

• 14:00 - Using a symmetry-based approach to identify structural prototypes from first principles
  Dr Michele Kotiuga (THEOS, EPFL)
  The Atomistic Materials Modelling Seminars (Hosted by the Oxford Materials Design Network)

Friday 10 February 2023 (4th Week, Hilary Term)

• 14:00 - Theory and Simulation of Cation Solvation and Ionic Aggregation in Concentrated Non-Aqueous Electrolytes
  Dr Zachary Goodwin (Harvard University)
  The Atomistic Materials Modelling Seminars (Hosted by the Oxford Materials Design Network)

Friday 24 February 2023 (6th Week, Hilary Term)

• 14:00 - Chlorine: the magic ingredient in CdTe solar cell production
  Dr Pooja Goddard (Loughborough University)
  The Atomistic Materials Modelling Seminars (Hosted by the Oxford Materials Design Network)

Friday 10 March 2023 (8th Week, Hilary Term)

• 14:00 - Modelling Ultralong Phosphorescence in Molecular Crystals
  Dr Rachel Crespo-Otero (Queen Mary University, London)
  The Atomistic Materials Modelling Seminars (Hosted by the Oxford Materials Design Network)