xitanna Goto Github PK

followers: 6.0 following: 8.0 repos: 28.0 gists: 0.0

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

Hi there 👋

🔭 I’m currently working on the nanoscale heat transport behavior of electrochemical solid-liquid interfaces, with specific emphasis on batteries and supercapacitors.
🌱 I’m currently learning non-equilibrium molecular dynamics simulations and applying machine learning potentials to investigate chemical reactions at electrochemical interfaces.
📫 How to reach me: [email protected].
😄 Pronouns: “The first sight is better than the last.”

Xi Tan's Projects

atomistic_nodal_approach_nanoparticles

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_mlp

BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field tailored for accurate and practical electrolyte simulations.

best-of-atomistic-machine-learning

🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.

chgnet

Pretrained universal neural network potential for charge-informed atomistic modeling

clandp

Force field for ionic liquids.

d2l-zh

《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。

deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

dmff

DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models.