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THOMAS YOUNG CENTRE

THE LONDON CENTRE FOR THE THEORY & SIMULATION OF MATERIALS & MOLECULES

  • Join TYC
  • Home
  • About TYC
    • Who was Thomas Young?
    • Governance
    • Equality, diversity and inclusion
      • Women at the TYC
      • Women in High Performance Computing (WHPC)
    • TYC partners
      • Materials & Molecular Modelling Hub (MMM Hub)
      • JC Maxwell
      • Psi-k
  • Events
  • Courses
    • Courses
      • TYC Materials Modelling Course
  • Research
    • Research
      • Research Highlights
    • People
  • Working with industry
    • Working with industry
      • Environment and sustainability
      • Energy & power generation
      • High value manufacturing
      • Healthcare
      • Minerals and mining
      • Chemical industry
      • Defence and aerospace
    • Industry associations
  • Opportunities
    • Opportunities
    • PhD Projects
    • Jobs
    • Sabbatical visits
    • Early Career Award
    • Early Career Researchers’ Forum
    • Junior Research Fellowship Scheme
    • TYC Journal Club
TYC logo
THOMAS YOUNG CENTRE

THE LONDON CENTRE FOR THE THEORY & SIMULATION OF MATERIALS & MOLECULES

Research Highlights

Abstract chaotic background.
  • Exploration of crystal chemical space using text-guided generative artificial intelligence

    12 May 2025

  • Quantifying Cooperativity through Binding Free Energies in Molecular Glue Degraders

    6 May 2025

  • Interpolating numerically exact many-body wave functions for accelerated molecular dynamics

    26 February 2025

  • Structure and Migration Mechanisms of Oxygen Interstitial Defects in β-Ga₂O₃

    21 February 2025

  • Electron Ptychography for Atom-by-Atom Quantification of 1D Defect Complexes in Monolayer MoS 2

    7 February 2025

  • Unveiling the face-dependent ice growth kinetics: Insights from molecular dynamics on the basal and prism surfaces

    7 February 2025

  • Mechanism of Fe(II) Chemisorption on Hematite(001) Revealed by Reactive Neural Network Potential Molecular Dynamics

    16 January 2025

  • Solvatomorphic diversity dictates the stability and solubility of metal–organic polyhedra

    11 December 2024

  • Thermoelectric transport in molecular crystals driven by gradients of thermal electronic disorder

    8 November 2024

  • Electron-molecule collision calculations: a primer

    7 November 2024

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