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All parameter files, result files, and simulated data sets used in PIPI3

NIAID Data Ecosystem2026-05-02 收录

计算模拟

数据链接：

https://zenodo.org/record/13234738 数据链接链接失效反馈

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资源简介：

All parameter files, result files, and simulated data sets used in PIPI3.

应用场景：

创建时间：

2024-08-06

电池材料

计算模拟

We present a computational screening of experimental structural repositories for fast Li-ion conductors, with the goal of finding new candidate materials for application as solid-state electrolytes in

DataCite Commons2026-03-12 更新190

Automated potential development workflow: Application to BaZrO3

材料科学

计算模拟

We present a Python workflow, Automated Potential Development (APD), for automating the development of interatomic potentials, including calculation of density functional theory (DFT) fitting data, op

Mendeley Data2024-06-25 更新110

Original code

材料科学

计算模拟

This is the original code of phase-field simulation in Ti-Al alloys

Mendeley Data2024-06-24 更新100

Research Data supporting "Extensive photochemical restructuring of molecule-metal surfaces under room light"

光化学

计算模拟

This repository record contains the data of all main and supplementary information figures of the manuscript. The data are in txt files or excel files, tab seperated, and with columns labelled. All fu

DataCite Commons2024-12-17 更新130

Wavefunction Polarization in a Circular Quantum Dot Using the Schrödinger–Poisson Model in COMSOL

量子物理

计算模拟

Interaction of GaAs quantum dot with uniform magnetic field

DataCite Commons2025-08-04 更新100