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Model reduction and simulation at the atomistic scale

Model reduction and simulation at the atomistic scale

About this event

This is a one-day MIR@W workshop bringing together researchers in Applied Maths and Scientific Computation.

To register your interest in attending this event, please fill out the form here.

Financial support for this event comes from the Warwick-SJTU Seed Fund, the Warwick Mathematics Institute through the MIR@W day scheme, and the London Mathematical Society.

Event details and schedule

This event will take place on Friday 26 January 2024 in A0.28, Milburn HouseLink opens in a new window.

Important: To access the building you will need to use the north entrance (closest to both Kirby Corner Road and the room as indicated on the interactive map link above). This entrance is card-access only for Warwick staff and students, but someone will be available to let external participants in.


  • 10.00 - Welcome
  • 10.15 - Operator Learning for Multiscale PDEs, Lei Zhang (SJTU)
  • 10.45 - Dislocation dynamics parameterisation in Ni-based superalloys from atomistic simulations, Geraldine Anis (Warwick)
  • 11.00 - Break
  • 11.30 - Application of machine-learned interatomic potentials in atomic-scale simulations and beyond, Yangshuai Wang (UBC Vancouver)
  • 12.00 - ODE-Net based data-driven modelling for crowd dynamics, Jinglai Li (Birmingham)
  • 12.30 - Lunch (elsewhere on campus)
  • 14.00 - Predicting diffusion and plasticity at the atomistic scale, Tom Swinburne (CINaM, Marseille)
  • 14.30 - Atomistic modelling of nucleation - reduction to the committor, Kat Blow (Warwick)
  • 14.45 - Structure-property relations for block copolymers - A molecular data-driven approach, Arre Rajkumar (Warwick)
  • 15.00 - Break
  • 15.30 - Accurate and efficient splitting methods for dissipative particle dynamics, Xiaocheng Shang (Birmingham)
  • 16.00 - Close

Detailed talk abstracts can be found below.

Talk Abstracts