Dr Rohit Pillai

I am a Senior Lecturer in Mechanical Engineering at the University of Edinburgh. I am a computational engineering scientist exploring nanoscale interfacial phenomena using simulation, with a particular focus on phase change, droplet dynamics, and heat transfer at solid–liquid interfaces.  My research combines molecular dynamics (including machine-learning interatomic potentials) with continuum modelling and multiscale coupling methods to connect atomistic physics to engineering-scale behaviour. A recurring theme is understanding how nanoscale mechanisms govern macroscopic outcomes: how droplets move (and sometimes jump), how surfaces clean themselves, how ice nucleates, and how heat is transported across interfaces.  

I lead an £1.3M UKRI/ERC-funded research grant (NANO-COOL) investigating nanoscale mechanisms of phase change and their implications for thermal control, and I am a group leader within the multiscale flow (mfX) research group (with Duncan and Livio), where we develop multiscale methods and high-performance computing software for complex flow and transport problems.

I am actively involved in academic service and research leadership within the School and the wider University. I currently serve as Postdoctoral Researcher (PDRA) Champion for the School of Engineering, a role focused on improving postdoctoral support, career development, and research culture. In this capacity, I have contributed to the design and implementation of postdoctoral induction and professional development initiatives aligned with the Concordat to Support the Career Development of Researchers.

PhD, University of Melbourne (2017)

MSc, University of California, Davis (2012)

• College Member, EPSRC Peer Review College (2024–present)
• Expert Evaluator, European Research Council (2024–present)
• Member, Scotland Beyond Net Zero (2025–present)
• Member, UK Fluids Network Special Interest Group on Non-Equilibrium Molecular Dynamics (NEMD) (2019–present)
• Member, Society for Industrial and Applied Mathematics (SIAM) (2014–present)

My research sits at the interface of molecular simulation, multiscale modelling, and thermal-fluid engineering, including:

• Molecular dynamics of phase change and interfacial transport, including ML potentials for more accurate/transferable simulations  
• Boiling/evaporation and vapour bubble nucleation at nanoscale surfaces; wettability/roughness effects.
• Ice nucleation and design principles for icephobic / de-icing surfaces, including vibration effects  
• Spectral / mode-resolved mechanisms of heat transfer across solid–liquid interfaces (including meniscus physics)  
• Multiscale coupling (atomistic ↔ continuum) and HPC-enabled simulation workflows (ARCHER2/CIRRUS)  

Selected public coverage:

• Self-cleaning surfaces inspired by cicadas (The Conversation)  
• Nanobubbles for ultrasonic cleaning (EurekAlert)  
• Ultra-fast vibration heating / “boiling by shaking” (BBC, press clippings: 1, 2, 3, 4)  

Further information on my research and publications can be found on my
personal website, as well as the mfX group website.

Working with me / joining the group.
I welcome enquiries from prospective PhD students, postdoctoral researchers, and visitors who are excited by multiscale simulation and want to work across molecular dynamics, continuum modelling, and HPC. If you contact me, the most helpful first email includes (i) a short CV, (ii) a paragraph on your interests and relevant technical skills (e.g., MD/CFD/programming), and (iii) a note on funding status/timelines. See group website on details on existing opportunities.

Collaboration.
I’m always happy to discuss collaborations that need careful physics at interfaces (phase change, nucleation, interfacial heat transfer) and/or robust simulation workflows. For broader group work and joint opportunities, mfX is a good entry point