Name: Xi Tan
Type: User
Company: Huazhong University of Science and Technology
Bio: I am Xi Tan, a master's student from Huazhong University of Science and Technology, China. --------- ------------
Location: Huazhong University of Science and Technology,Wuhan, China
Xi Tan's Projects
Python Code for Processing LAMMPS Data generated for two data types: LAMMPS trajectory file and LAMMPS dump files. Subsequently, the code involves post-processing of the data to give interfacial heat flux, temperature discontinuity and ultimately interfacial conductance using the atomistic nodal approach. Pythode code is also presented as a workflo
BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field tailored for accurate and practical electrolyte simulations.
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
Pretrained universal neural network potential for charge-informed atomistic modeling
Force field for ionic liquids.
《动手学深度学习》:面向中文读者、能运行、可讨论。中英文版被全球200所大学采用教学。
A deep learning package for many-body potential energy representation and molecular dynamics
DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models.
FLAME: a library for atomistic modeling environments
Graphics Processing Units Molecular Dynamics
Gromacs local stress code forked from https://bitbucket.org/mdstresslib/gromacs-ls-4.5.5
high dimensional neural network potential
A hierarchical approach of generating MD simulation-ready tiled graphene oxide stacks
JDFTx: software for joint density functional theory
Public development project of the LAMMPS MD software package
EChemDID and various USER packages for LAMMPS.
updated constant potential plugin for LAMMPS
A simple and fast python library to handle the data generated from molecular dynamics simulations
NEP machine learning potential in LAMMPS
CPU version of NEP
A python interface of NEP
Solvation model for the plane wave DFT code VASP http://vaspsol.mse.ufl.edu/
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes