Accelerating the discovery of advanced materials is crucial for modern industries,
aerospace, biomedicine, and energy. Nevertheless, only a small fraction of materials are …

Ab initio driven density functional theory-based high throughput simulations have been
conducted to search for stable two-dimensional (2D) structures based on transition metal …

Implementation of machine learning (ML) techniques in materials science often requires
large data sets. However, a proper choice of features and regression methods allows the …

The versatility of metal tellurate chemistry enables the creation of unique structures with
tailored properties, opening avenues for advancements in a wide range of applications …

В данной работе представлена методика поиска новых двумерных материалов,
включающая с себя критерии термодинамической и динамической устойчивостей …