TYC Lunctime Seminar: Electronic structure of twisted bilayer materials
Christopher Bradley
Department of Physics, ICL
Online
Supercomputer modelling of advanced materials
Scientific discussion meeting organised by Professor Scott Woodley, Professor Sir Richard Catlow FRS, Professor Nora H de Leeuw and Professor Angelos Michaelides.
TYC Lunchtime Seminar: Engineering and predicting the electronic and optical properties of porphyrin-based structures
Victor H Posligua HernandezDeaprtment of Chemistry Abstract: Metal-organic frameworks (MOFs) are promising photocatalytic materials due to their high surface area and tuneability of their electronic structure. We will discuss how to engineer the band structures and optical properties of a family of two-dimensional porphyrin-based MOFs, consisting of M-tetrakis(4-carboxyphenyl)porphyrin structures (M-TCPP, where M = Zn or Co) […]
Software solutions to the challenges of materials modelling
Satellite meeting organised by Professor Scott Woodley, Professor Sir Richard Catlow FRS, Professor Nora H de Leeuw and Professor Angelos Michaelides.
TYC Journal Club: Impact of metastable defect structures on carrier recombination in solar cells
Seán Kavanagh, UCL/Imperial College London
Atomistic view on structures and processes in electrochemical energy conversion and storage from first principles
Axel Groß,
Institute of Theoretical Chemistry, Ulm University
Venue: White city Campus, Imperial College London
Fundamentals of the Electrochemistry of the Metal/Electrolyte Interface Symposium
The symposium will focus on the fundamentals of electrochemistry of the metal/electrolyte interface, and will bring together theorists and experimentalists to discuss the latest developments.
Sargent Centre Summer School on Data-Driven Optimization
Venue: Lecture Theatre 1, ACE Extension, South Kensington Campus, Imperial College London
MSSC2022 – Ab initio Modelling in Solid State Chemistry
The week long school is designed for new users of CRYSTAL, PhD students, Post-Docs and researchers with interests in solid state chemistry, physics, materials science, surface science, catalysis, magnetism and nano-science.
History (and future) of modelling materials using interatomic potentials
Prof Sir Richard Catlow (UCL) - Interatomic Potentials and modelling as a tool in materials science
Prof Olivier Hardouin Duparc (Institut Polytechnique de Paris) - Interatomic potentials: Basic historical developments, with the Natural Intelligence of our brilliant predecessors
Prof Sally Price (UCL) - Interatomic potentials for modelling the intermolecular forces between organic molecules, pharmaceuticals and biomolecules
Latest Developments in Density Functional Methodology Symposium
King's College LondonPushing the frontiers of density functional theory using machine learning - Aron Cohen, Google Deepmind
Smooth(er) meta-generalised gradient approximation functionals: design and applications in condensed systems - Albert Bartok-Partay, Warwick
The ABC… of extended DFT - Andrew Teale, University of Nottingham
MMM Hub Software Spotlight – VASP (Vienna ab initio simulation package)
Showcasing the capabilities of VASP package from a research perspective