School of Chemistry, Cardiff University, Park Place, Cardiff CF10 3AT, Wales, U.K.

Ching-Kai Chi of iTHEMS and co-author of the work, noted that, "unlike previous Weyl materials, the uniquely simple electronic structure of (Cr,Bi) 2 Te 3 enabled us to quantitatively explain our ...

HyperAI超神经官网的教程板块现已上线了「LAMMPS 入门教程：npt 控温估计 FCC Cu 熔点」。 自 2004 年开源发布以来，LAMMPS 在材料建模领域得到了广泛应用，其全称为 Large-scale Atomic/Molecular Massively Parallel Simulator，由美国 Sandia 国家实验室开发。 LAMMPS 可用于固态材料 ...

HyperAI超神经官网的教程板块现已上线了「LAMMPS 入门教程：npt 控温估计 FCC Cu 熔点」。 自 2004 年开源发布以来，LAMMPS 在材料建模领域得到了广泛应用 ...

Understanding the risk of multiple stable crystal polymorphs for a drug is a vital part of drug formulation and development. Computational crystal structure prediction (CSP) is a valuable tool for ...

The software ReciPro makes various crystallographic calculations, visualizes a crystal structure, simulates a diffraction pattern and high-resolution TEM image, indexes diffraction spots, plots ...