Penghua Ying

Tutorial-on-atomic-simulations. Tutorials on atomic simulations related to my research

supporting-info. This GitHub repository contains additional information supporting published manuscripts

thermo. GPUMD and LAMMPS helper functions for thermal computations

gpyumd. A Python interface for GPUMD

hityingph.github.io. Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes

lammps-input-files. LAMMPS inputs and data files

New-Version-Spectral-decomposition-python-tools. (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.

QMOF. Quantum MOF (QMOF) Database

programming-math-science. This is a list of links to different freely available learning resources about computer programming, math, and science.

dpdata. Manipulating DeePMD-kit, VASP, LAMMPS data formats.

lammps. Public development project of the LAMMPS MD software package

NEP_CPU. CPU version of NEP

phana. C++

ASAP. ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.