The FLAMES is a general purpose adsorption simulation toolbox built around the Atomic Simulation Environment (ASE), which provides tools for molecular simulations and adsorption studies using machine ...

Large language models are capable of summarizing research, supporting clinical reasoning, and engaging in coherent conversations. However, their inputs are limited to user-generated text, which ...

CRISP is a post-simulation analysis package built on the Atomic Simulation Environment (ASE). It is designed for efficient and insightful analysis of molecular dynamics (MD) and other simulations, ...

Soil contamination by environmental pollutants, particularly polycyclic aromatic hydrocarbons (PAHs), can significantly affect human health due to their carcinogenic and mutagenic properties. In this ...

High-throughput DNA sequencing technologies, including next-generation sequencing and the newly emerging third-generation sequencing, enable the gene sequences of living organisms to be probed in a ...

Atomic neural networks (ANNs) constitute a class of machine learning methods for predicting potential energy surfaces and physicochemical properties of molecules and materials. Despite many successes, ...