24 citations · 201 across the 33 of their papers we have counts for
4 papers · 1 filter
Statistical distribution of thermal vacancies close to the melting point
María José Pozo, Sergio Davis, Joaquín Peralta
A detailed description of the statistical distribution of thermal vacancies near the melting point is presented, using copper as an example. As the temperature is increased, the av…
A Bayesian interpretation of abrupt phase transitions
Sergio Davis, Joaquín Peralta, Yasmín Navarrete +2
The formalism used in describing the thermodynamics of abrupt (or first-order) phase transitions is reviewed as an application of maximum entropy inference. In this treatment, we s…
Hamiltonian formalism and path entropy maximization
Sergio Davis, Diego González
Maximization of the path information entropy is a clear prescription for constructing models in non-equilibrium statistical mechanics. Here it is shown that, following this prescri…
Fitting of interatomic potentials without forces: a parallel particle swarm optimization algorithm
Diego González, Sergio Davis
We present a methodology for fitting interatomic potentials to ab initio data, using the particle swarm optimization (PSO) algorithm, needing only a set of positions and energies a…