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Enzymes form a key part of the machinery of life by catalyzing biochemical processes. Experiments from several groups (A. Sen at Penn State University and C. Bustamante at Berkeley) have found an increased diffusivity and chemotaxis for enzymes performing their catalytic activity.

I develop computational models that include thermal fluctuations, mechanical conformations, hydrodynamics and enzymatic chemical kinetics to understand the microscopic origins of the experimental observations.

Left: the enzyme aldolase, among the ones studied by the group of A. Sen.

Nanomotors, small devices that convert locally a fuel into directed motion, represent one of the elementary machines at the nanoscale for future chemical and biotechnological applications.

I work on the theory and simulation of nanomotors, relating for instance their shape to the type of trajectories observed in experiments.

Left: A computational model for the L-shape nanomotor.

LRI systems, among which unscreened electrostatic and gravitational systems, possess peculiar thermodynamical and dynamical properties. The Vlasov equation is adequate to study kinetic phenomena in systems with LRI. I perform numerical simulations of the Vlasov equation in one dimension for some LRI systems, allowing for a study independent of the number of particles.

Left: Example of a simulation showing fine scale structure in the short-time dynamics of the Hamiltonian Mean-Field model (see paper "On the effectiveness of mixing in violent relaxation").

- 2007, july 6th. Dynamics and thermodynamics of systems with long range interactions: theory and experiments, Assisi (Italy).

*Vlasov dynamics of a non-neutral plasma* - 2009, march 13th. Express oral presentation of the poster. La 12ème Rencontre du Non-Linéaire, Paris (France).

*Transition de phases hors-d'équilibre dans le Laser à Electrons Libres* - 2011, april 15th. Seminar in the group "Physics of Complex Systems and Statistical Mechanics" at the ULB.

*Mesoscopic simulation of a rough Janus particle* - 2011, june 8th. Talk at the Scinet user group meeting.

*Fortran and Python* - 2012, august 1st. Talk at the Center for the Fundamental Laws of Nature, Harvard University.

*Nonlinear dynamics of systems with long-range interactions* - 2012, aug 30th. Invited talk at the workshop "Equilibrium and out-of-equilibrium properties of systems with long-range interactions", Centre Blaise Pascal, ENS-Lyon.

*Self-consistent steady states in Hamiltonian mean-field dynamics.* - 2012, sep 7th. Talk at the European Conference on Complex Systems, Brussels.

*Out-of-equilibrium dynamics in systems with long-range interactions: characterizing quasi-stationary states* - 2012, sep 21th. Invited talk at the workshop "Active Dynamics on Microscales: Molecular Motors and Self-Propelling Particles", Lorentz Center

*Modeling of the Janus particle via mesoscopic simulations* - 2013, may 15th. Talk at the "Workshop on Patterns and Hydrodynamic Instabilities in Reactive Systems", International Solvay Institutes, Brussels.

*Enhanced diffusion and ballistic motion of an active colloid* - 2013, jul 16. Talk at the Institute for Computational Physics, Universität Stuttgart

*Self-propulsion of active symmetric and asymmetric nanomotors* - 2014, dec 17. Seminar at the Institute for Theoretical Physics, KU Leuven

*Self-propulsion of active symmetric and asymmetric nanomotors*

slides - 2016, apr 20. Talk at the workshop "Bridging the gaps at the PCB interface" Multiscale Modelling in Physics, Chemistry and Biology, International Solvay Institutes, Brussels.

*Self-propulsion through symmetry breaking*

slides - 2017, mar 6. Talk at the CECAM workshop Microswimmers, Self-Propelled Particles, and Active Matter, Lausanne, 2017.

slides - 2017, apr 19. Talk at the workshop "Chemical reactions and separation in flows",
International Solvay Institutes, Brussels.

slides - 2018, jun 19. Seminar at the ICTP/SISSA seminars

*Nanomotors: symmetry, chemotaxis, sedimentation and anisotropy*

slides - 2019, jun 24. Seminar at the Institute for Computational Physics, Universität Stuttgart

slides - 2019, july. Invited presentation at the 28th International Conference on Discrete Simulation of Fluid Dynamics.

*Ultimately cancelled because of travel issues* - 2022, march. Institute seminar at the Royal Meteorological Institute of Belgium, Brussels.

*Open Science: an overview*

slides