NLS: An accurate and yet easy-to-interpret prediction method.

Over the last years, the predictive power of supervised machine learning (ML) has undergone impressive advances, achieving the status of state of the art and super-human level in some applications. However, the employment rate of ML models in real-life applications is much slower than one would expect. One of the downsides of using ML solution-based technologies is the lack of user trust in the produced model, which is related to the black-box nature of these models.

Author Correction: Text-mined dataset of inorganic materials synthesis recipes.

An amendment to this paper has been published and can be accessed via a link at the top of the paper.

Text-mined dataset of inorganic materials synthesis recipes.

Materials discovery has become significantly facilitated and accelerated by high-throughput ab-initio computations. This ability to rapidly design interesting novel compounds has displaced the materials innovation bottleneck to the development of synthesis routes for the desired material. As there is no a fundamental theory for materials synthesis, one might attempt a data-driven approach for predicting inorganic materials synthesis, but this is impeded by the lack of a comprehensive database containing synthesis processes.

Rational design of carbon nitride photocatalysts by identification of cyanamide defects as catalytically relevant sites.

The heptazine-based polymer melon (also known as graphitic carbon nitride, g-C3N4) is a promising photocatalyst for hydrogen evolution. Nonetheless, attempts to improve its inherently low activity are rarely based on rational approaches because of a lack of fundamental understanding of its mechanistic operation. Here we employ molecular heptazine-based model catalysts to identify the cyanamide moiety as a photocatalytically relevant 'defect'.

One-dimensional Fermi accelerator model with moving wall described by a nonlinear van der Pol oscillator.

A modification of the one-dimensional Fermi accelerator model is considered in this work. The dynamics of a classical particle of mass m, confined to bounce elastically between two rigid walls where one is described by a nonlinear van der Pol type oscillator while the other one is fixed, working as a reinjection mechanism of the particle for a next collision, is carefully made by the use of a two-dimensional nonlinear mapping. Two cases are considered: (i) the situation where the particle has mass negligible as compared to the mass of the moving wall and does not affect the motion of it; and (ii) the case where collisions of the particle do affect the movement of the moving wall.

Explaining the high number of infected people by dengue in Rio de Janeiro in 2008 using a susceptible-infective-recovered model.

An epidemiological model for dengue propagation using cellular automata is constructed. Dependence on temperature and rainfall index are taken into account. Numerical results fit pretty well with the registered cases of dengue for the city of Rio de Janeiro for the period from 2006 to 2008.