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.

Talks

    Prediction of adsorption thermodynamics in MOFs and COFs via ensemble learning (JD)

    Nucleation of Solid Solutions and the Pivotal Role of Ordered Precursors (JD)