Welcome to the mfX research group!
We are a computational group at the University of Edinburgh investigating a range of multiscale flow problems that target important engineering challenges of the 21st century in health, transport, water and energy. Our research spans fundamental engineering science at the nano/micro/meso/macro scales, multiscale method development, highly parallel software development that run on supercomputers, and industry-focused engineering applications.
Examples of our recent work include: non-equilibrium gas transport through porous media for safer oil/gas reservoir management; nano/micro bubble cavitation dynamics for disease targeting; nano/micro-engineered surfaces with improved performance (e.g. anti-icing, marine drag reduction, nanotube water filtration membranes, evaporating cooling nanopipes); liquid-surface damage analysis; granular and pedestrian flow predictions.
We actively collaborate with researchers from the UK and around the world, and engage with various industrial companies to adapt our techniques for their problems.
Congratulations to Taher, who won a Best Poster Award at the 5th Non-Equilibrium Molecular Dynamics Conference (NEMD 2026) for his poster on computing nanobubble zeta potentials via non-equilibrium molecular dynamics. The award was decided by a vote of the conference delegates.
The group hosted the 5th Non-Equilibrium Molecular Dynamics Conference (NEMD 2026) at the University of Edinburgh on 8-10 July 2026, organised by Rohit and Duncan. The meeting brought together 76 delegates from 15 countries across four continents, for a programme of 24 talks (including 5 keynotes) and 15 posters, following the previous edition in Osaka in 2025. NEMD 2026 was sponsored by Tokyo Electron, CCP5, and EPCC.
Pengxu’s work on how surface vibrations suppress ice nucleation in water nanofilms has been published in the Journal of Chemical Physics, together with Patrick, Rohit and Saikat! The paper identifies two complementary mechanisms by which vibrations stop ice forming at its nanoscale origin: acoustothermal heating, and a non-thermal disruption of interfacial water structure. Congratulations to Pengxu on the second publication of his PhD!
The group hosted the NEMD for Fluids and Interfaces Summer School at the University of Edinburgh on 6-7 July 2026. The two-day school combined a ten-lecture programme from international experts with hands-on simulation sessions, and attracted 40 applicants. Duncan lectured on surface tension and the structure of the liquid-vapour interface. The school ran as a prelude to the NEMD 2026 conference later the same week.
Following its debut at the Edinburgh Science Festival in April, the group’s interactive cavitation exhibit “When Bubbles Bite” was presented at the Practical Engineering Education Conference (PEE26), held at the University of Edinburgh on 2-3 July 2026. The exhibit teaches cavitation physics through live underwater balloon bursts replayed in slow motion, a remote-controlled mini propeller tank, a cavitation-damaged ship propeller, and an interactive quiz app.