Marcello Sega
Associate Professor
London, England, United Kingdom
Summary
👤
Senior🎓
Top SchoolMarcello Sega is an Associate Professor and computational physicist at UCL with 18 years' experience modeling molecular thermodynamics of complex fluids and interfaces. He blends molecular dynamics, statistical mechanics and machine learning to predict interfacial phenomena across chemical, biological and industrial systems, and has a track record of translating theory into applications from soft matter to solvent mixtures. He has led international research teams, developed widely used open-source tools such as pytim and gitim, and contributed core fixes to high-profile projects like ESPResSo that improved constraint handling and LB coupling. Beyond research, he shapes education and access as Head of Admissions and teaches data-driven process engineering, bringing advanced computational methods into the curriculum. A Habilitation-holder with extensive editorial and fellowship roles, he connects physics, chemistry and engineering communities across Europe. He is motivated by accelerating materials and fluid design through computational innovation and AI-driven potentials.
18 years of coding experience
5 years of employment as a software developer
Habilitation, Computational Physics, Habilitation, Computational Physics at University of ViennaPh.D, Physics, Ph.D, Physics at Università di TrentoDiploma, Diploma at Liceo Scientifico
English, Italian, German
Github Skills (10)
c-language10
physics10
molecular-dynamics-simulation10
cprogramming-language10
back-end-development10
nonlinear-dynamics10
molecular-simulation10
scientific-computing9
cplus9
cpp9
Programming languages (4)
Github contributions (5)
espressomd/espresso
Aug 2007 - Aug 2017
The ESPResSo package
Role in this project:
Back-end Developer
Back-end DeveloperContributions:93 commits, 12 PRs, 38 comments in 10 years 2 months
Contributions summary:Marcello primarily focused on modifying and rewriting core components within the ESPResSo package, specifically related to pore constraints. This involved significant code changes within the `constraint.h` file, indicating a focus on improving the simulation's handling of constraints. Further contributions include bug fixes and modifications to the coupling of particles with the LB fluid, specifically related to the D3Q18 lattice, and associated boundary conditions as seen in the changes to `lb.c` and `lb-boundaries.h`.
physicssoft-matterpythonmolecular-dynamicsscientific-computing
Marcello-Sega/pytetgen
Jul 2017 - Jan 2021
python interface to tetgen
Contributions:1 release, 45 commits, 11 PRs in 3 years 7 months
python-interfacepythontetgengeometrymesh-generation
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