MetaSimulation of NonEquilibrium Processes

The MSNEP Group

Journal Covers

  • Unusual Crystallization Behavior Close to the Glass Transition, Phys. Rev. Lett. 2018, 120, 115701.

  • Unraveling the Coupling between Demixing and Crystallization in Mixtures, J. Am. Chem. Soc. 2014, 136, 23, 8145–8148.

  • Non-monotonic variations of the nucleation free energy in a glass-forming ultra-soft particles fluid, Soft matter 2018, 14, 5977-5985.

  • Adsorption and diffusion of the antiparkinsonian drug amantadine in carbon nanotubes, Molec. Simul. 2014, 40, 656-663.

  • Adsorption of hydrogen in covalent organic frameworks using expanded Wang–Landau simulations, Molec. Simul. 2014, 40, 71-79.

Movies

    When subjected to a static light pattern, light-activated microswimmers escape the illuminated region (central square), leading to a smart templated inverse assembly process - from Soft Matter, 19, 7334 (2023)

    Using a checkreboard motif as static light pattern, we can program the partitioning of active matter into a series of alternating sparsely and densely populated regions - from Soft Matter, 19, 7334 (2023)

    An MCM-41 cylindrical nanopore filled with Argon atoms empties through the formation of a bubble under isothermal conditions - from J. Chem. Phys. 161, 104014 (2024)

    Under adiabatic conditions, the MCM-41 cylindrical nanopore empties very quickly. In this case, the nanoconfined fluid does not have to overcome a free energy barrier to undergo the phase transition process - from J. Chem. Phys. 161, 104014 (2024)