JARVIS_EPC_2D

The JARVIS_EPC_2D dataset is part of the joint automated repository for various integrated simulations (JARVIS) DFT database. This subset contains configurations sourced from the JARVIS-DFT-2D dataset, rerelaxed with Quantum ESPRESSO. JARVIS is a set of tools and datasets built to meet current materials design challenges.JARVIS_EPC_2D 数据集是面向各类集成模拟的联合自动化存储库（JARVIS）的密度泛函理论（Density Functional Theory, DFT）数据库的组成部分。该子集的原子构型源自 JARVIS-DFT-2D 数据集，并通过 Quantum ESPRESSO 完成了重新弛豫处理。JARVIS 是一套为应对当前材料设计领域的各类挑战而开发的工具与数据集集合。

搜集汇总

背景与挑战

背景概述

JARVIS_EPC_2D是JARVIS DFT数据库的一部分，包含从JARVIS-DFT-2D数据集选取、并使用Quantum ESPRESSO重新弛豫的构型，旨在应对材料设计挑战。