AtomP
AtomP is a software framework designed to support atomistic simulation and probabilistic modeling of atomic-scale processes. It integrates physics-based simulations with statistical inference to estimate uncertain parameters, characterize diffusion and reaction pathways, and quantify the confidence of model predictions. The name signals a focus on atoms and probabilistic reasoning.
Its architecture combines a core simulation engine, an inference layer, and a visualization/analysis toolkit. AtomP can
Typical applications include calibration of interatomic potentials, estimation of activation barriers, analysis of defect dynamics, and
Development and licensing: AtomP originated from a collaboration among researchers at several institutions and was released
Reception and status: AtomP has been cited as a useful platform for uncertainty-aware materials modeling, with