Eva G. Noya

TL;DR: In this paper, the authors focus on the determination of phase diagrams by computer simulation, with particular attention to the fluid-solid and solid-solid equilibria, and the methodology to compute the free energy of solid phases is discussed.

TL;DR: In this article, the authors explore the role played by "frustration", where there is an incompatibility between the preferred local order and the global crystalline order, using examples from atomic glass formers and model anisotropic particles.

TL;DR: In this article, the design of simple patchy sphere models that reversibly self-assemble into monodisperse icosahedral clusters is studied, and the optimal patch width is a compromise between structural specificity (the patches must be narrow enough to select the desired clusters) and kinetic accessibility (they must be sufficiently wide to avoid kinetic traps).

TL;DR: In this article, the TIP4P/2005 model was used to investigate the maximum and minimum in density and the isothermal compressibility along a number of isobars, and the model correctly describes the decrease in the temperature of the density maximum with increasing pressure.

TL;DR: Surfactant-assisted seeded growth of metal nanoparticles (NPs) can be engineered to produce anisotropic gold nanocrystals with high chiroptical activity through the templating effect of chiral micelles formed in the presence of dissymmetric cosurfactants.