Visualizing lattice vibration information from phonon dispersion to atoms (For GPUMD)

Overview

Phonon-Vibration-Viewer (For GPUMD)

Visualizing lattice vibration information from phonon dispersion for primitive atoms.

In this tutorial, we will introduce how to obtain the lattice vibration information and visualize it onto atoms by using GPUMD and OVITO.

We will use a novel fivefive twinned diamond nanowire (5FT-DNWs) stucture as an example (Liang 2021).

The tutorial is jupyter notebook, hope one can enjoy it.

Example:

References

In the end, we will reached the desired goal.

Owner
Liangting
Ph.D. candidate; Thermal transfer; Two-dimensional materials; Computing physics
Liangting
Generative Flow Networks for Discrete Probabilistic Modeling

Energy-based GFlowNets Code for Generative Flow Networks for Discrete Probabilistic Modeling by Dinghuai Zhang, Nikolay Malkin, Zhen Liu, Alexandra Vo

Narsil-Dinghuai Zhang 51 Dec 20, 2022
Genetic Algorithm, Particle Swarm Optimization, Simulated Annealing, Ant Colony Optimization Algorithm,Immune Algorithm, Artificial Fish Swarm Algorithm, Differential Evolution and TSP(Traveling salesman)

scikit-opt Swarm Intelligence in Python (Genetic Algorithm, Particle Swarm Optimization, Simulated Annealing, Ant Colony Algorithm, Immune Algorithm,A

郭飞 3.7k Jan 03, 2023
DeepLM: Large-scale Nonlinear Least Squares on Deep Learning Frameworks using Stochastic Domain Decomposition (CVPR 2021)

DeepLM DeepLM: Large-scale Nonlinear Least Squares on Deep Learning Frameworks using Stochastic Domain Decomposition (CVPR 2021) Run Please install th

Jingwei Huang 130 Dec 02, 2022
Multiple-Object Tracking with Transformer

TransTrack: Multiple-Object Tracking with Transformer Introduction TransTrack: Multiple-Object Tracking with Transformer Models Training data Training

Peize Sun 537 Jan 04, 2023
Python package for downloading ECMWF reanalysis data and converting it into a time series format.

ecmwf_models Readers and converters for data from the ECMWF reanalysis models. Written in Python. Works great in combination with pytesmo. Citation If

TU Wien - Department of Geodesy and Geoinformation 31 Dec 26, 2022
Official Implementation of LARGE: Latent-Based Regression through GAN Semantics

LARGE: Latent-Based Regression through GAN Semantics [Project Website] [Google Colab] [Paper] LARGE: Latent-Based Regression through GAN Semantics Yot

83 Dec 06, 2022
Official Repository for our ECCV2020 paper: Imbalanced Continual Learning with Partitioning Reservoir Sampling

Imbalanced Continual Learning with Partioning Reservoir Sampling This repository contains the official PyTorch implementation and the dataset for our

Chris Dongjoo Kim 40 Sep 18, 2022
TrTr: Visual Tracking with Transformer

TrTr: Visual Tracking with Transformer We propose a novel tracker network based on a powerful attention mechanism called Transformer encoder-decoder a

趙 漠居(Zhao, Moju) 66 Dec 27, 2022
Securetar - A streaming wrapper around python tarfile and allow secure handling files and support encryption

Secure Tar Secure Tarfile library It's a streaming wrapper around python tarfile

Pascal Vizeli 2 Dec 09, 2022
CNN Based Meta-Learning for Noisy Image Classification and Template Matching

CNN Based Meta-Learning for Noisy Image Classification and Template Matching Introduction This master thesis used a few-shot meta learning approach to

Kumar Manas 2 Dec 09, 2021
Neural network for digit classification powered by cuda

cuda_nn_mnist Neural network library for digit classification powered by cuda Resources The library was built to work with MNIST dataset. python-mnist

Nikita Ardashev 1 Dec 20, 2021
A web-based application for quick, scalable, and automated hyperparameter tuning and stacked ensembling in Python.

Xcessiv Xcessiv is a tool to help you create the biggest, craziest, and most excessive stacked ensembles you can think of. Stacked ensembles are simpl

Reiichiro Nakano 1.3k Nov 17, 2022
Machine Learning Toolkit for Kubernetes

Kubeflow the cloud-native platform for machine learning operations - pipelines, training and deployment. Documentation Please refer to the official do

Kubeflow 12.1k Jan 03, 2023
CityLearn Challenge Multi-Agent Reinforcement Learning for Intelligent Energy Management, 2020, PikaPika team

Citylearn Challenge This is the PyTorch implementation for PikaPika team, CityLearn Challenge Multi-Agent Reinforcement Learning for Intelligent Energ

bigAIdream projects 10 Oct 10, 2022
EncT5: Fine-tuning T5 Encoder for Non-autoregressive Tasks

EncT5 (Unofficial) Pytorch Implementation of EncT5: Fine-tuning T5 Encoder for Non-autoregressive Tasks About Finetune T5 model for classification & r

Jangwon Park 34 Jan 01, 2023
The original implementation of TNDM used in the NeurIPS 2021 paper (no longer being updated)

TNDM - Targeted Neural Dynamical Modeling Note: This code is no longer being updated. The official re-implementation can be found at: https://github.c

1 Jul 21, 2022
Reinforcement-learning - Repository of the class assignment questions for the course on reinforcement learning

DSE 314/614: Reinforcement Learning This repository containing reinforcement lea

Manav Mishra 4 Apr 15, 2022
Speech Enhancement Generative Adversarial Network Based on Asymmetric AutoEncoder

ASEGAN: Speech Enhancement Generative Adversarial Network Based on Asymmetric AutoEncoder 中文版简介 Readme with English Version 介绍 基于SEGAN模型的改进版本,使用自主设计的非

Nitin 53 Nov 17, 2022
Sub-tomogram-Detection - Deep learning based model for Cyro ET Sub-tomogram-Detection

Deep learning based model for Cyro ET Sub-tomogram-Detection High degree of stru

Siddhant Kumar 2 Feb 04, 2022
Locally Most Powerful Bayesian Test for Out-of-Distribution Detection using Deep Generative Models

LMPBT Supplementary code for the Paper entitled ``Locally Most Powerful Bayesian Test for Out-of-Distribution Detection using Deep Generative Models"

1 Sep 29, 2022