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IOP Semiconductor Science and Technology: Empirical Metal-Oxide RRAM Device Endurance and Retention Model for Deep Learning Simulations
This repository offers a COMSOL-based TaOx RRAM simulation framework for exploring how electrical and thermal conductivities impact memristor performance. It includes parameter definitions, geometr…
ICLR 2025 - official implementation for "I-Con: A Unifying Framework for Representation Learning"
FANS: an open-source, efficient, and parallel FFT-based homogenization solver designed to solve microscale multiphysics problems.
A machine learning workflow for calculating the electron-phonon coupling (EPC)
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
PET-MAD, a universal interatomic potential for advanced materials modeling
This repository contains the MATLAB code and data supporting the paper titled "Enhancing simulation feasibility for multi-layer 2D MoS2 RRAM devices: reliability performance learnings from passive …
Official implementation of MatterGen -- a generative model for inorganic materials design across the periodic table that can be fine-tuned to steer the generation towards a wide range of property c…
关于书籍CUDA Programming使用了pycuda模块的Python版本的示例代码
Free End Adaptive Nudged Elastic Band method for locating transition states in minimum energy path calculation
收集和整理适用于高熵合金分子动力学模拟的势函数。A set of interatomic potentials suitable for molecular dynamics simulations of high entropy alloys.
MatterSim: A deep learning atomistic model across elements, temperatures and pressures.
NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.
This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.
A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.
VASP Convergence Testing (for Energy & Dielectric Constants)
The Temperature Dependent Effective Potentials (TDEP) code
A quick post-process for resolve or assistant the VASP calculations
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical conductivities, and electronic thermal conductivities) by using …