Device Studio User Guide

Welcome to Device Studio. Device Studio is free for academic use. This tutorial provides detailed instructions for the Windows version of Device Studio.

Device Studio (DS for short) is a multi-scale materials design and simulation platform developed by Hongzhiwei Technology (Shanghai) Co., Ltd. It enables atomic-level material modeling (million-scale), high-performance scientific simulation computing, computation task monitoring and management, and data visualization analysis in an integrated workflow. This integration of material design and scientific simulation significantly enhances research efficiency and helps researchers address important challenges in multi-scale materials design and simulation.

Device Studio integrates various scientific computing software to meet users’ simulation needs across different fields. It includes DS-PAW for first-principles plane-wave calculations, BDF for quantum chemistry calculations.

Based on its powerful material design modeling and high-performance scientific simulation capabilities, Device Studio can be widely applied in quantum devices, artificial biology, advanced batteries, intelligent lighting, memory devices, and other industries. It assists in material research and development in electronic materials, alloys, biotechnology, and other fields, providing professional technical support for optoelectronics and integrated circuits industries.

Contents

• 1. Introduction to Device Studio
  • 1.1. Atomic-level Material Modeling
    • 1.1.1. Import and Export of Various Material Structure Files
    • 1.1.2. Visualization of Molecules, Crystals, Devices, and Special Structures
    • 1.1.3. Support for Atomic Structure Refinement
    • 1.1.4. Rich Material Database
    • 1.1.5. Creation of Molecules, Crystals, Devices, and Special Structures
    • 1.1.6. Interconversion of Molecular, Crystal, and Device Structures
  • 1.2. High-performance Scientific Simulation Computing
  • 1.3. Computation Task Monitoring and Management
  • 1.4. Data Visualization
• 2. Quick Start Guide
  • 2.1. Login and Start Device Studio
• 3. Graphical Interface Introduction
  • 3.1. Menu Bar
    • 3.1.1. File
    • 3.1.2. Edit
    • 3.1.3. View
    • 3.1.4. Build
    • 3.1.5. Simulator
    • 3.1.6. Window
    • 3.1.7. Help
  • 3.2. Toolbars
• 4. Structure Modeling
  • 4.1. Importing Structures from Local Database
  • 4.2. Importing Structures from Online Database
  • 4.3. Importing the Au Crystal Structure
  • 4.4. Converting an Au primitive cell to an Au conventional cell
  • 4.5. Converting an Au unit cell to an Au supercell
  • 4.6. Removing Redundant Atoms and Operations in the Au Supercell
  • 4.7. Set X and Y axis directions to vacuum
  • 4.8. Mirror the structure and reset the lattice constants
  • 4.9. Setting up a Two-Port Device Structure
  • 4.10. Adding a Buffer Layer to the Device Structure
• 5. Structure Editing and Information Measurement
  • 5.1. Adding Atoms
  • 5.2. Delete Atom
  • 5.3. Replacement Atom
  • 5.4. Modifying Atomic Coordinates
  • 5.5. Move the selected atom
  • 5.6. Measuring the distance between two atoms
  • 5.7. Measuring the vector between two atoms
  • 5.8. Measuring the Angle Between Three Atoms
  • 5.9. Measuring the dihedral angle between four atoms
• 6. Atomic Structure Refinement Module
  • 6.1. SRM Menu Bar
    • 6.1.1. SRM Menu Bar - File
    • 6.1.2. SRM Menu Bar - Edit
  • 6.2. SRM Toolbar
  • 6.3. SRM - Structure Display Area
  • 6.4. SRM Parameter Adjustment Area
    • 6.4.1. SRM - Parameter Adjustment Area - Atoms Area
    • 6.4.2. SRM - Parameter Adjustment Area - Model Area
    • 6.4.3. SRM - Parameter Adjustment Area - Rendering Area
    • 6.4.4. SRM Parameter Adjustment Area - Selection Area
  • 6.5. SRM Setting Interface
  • 6.6. Modifying the Color of the Same Element within a Structure
  • 6.7. Change the color of an atom in the structure
  • 6.8. Change the color of all elements in the structure
  • 6.9. Modify the radius of the same element in the structure
  • 6.10. Modify the radius of an atom in the structure
  • 6.11. Modify the radius of all elements in the structure
• 7. Key Features
• 8. Common Functions
• 9. Scientific Computing Software Application Examples
  • 9.1. BDF Example
    • 9.1.1. BDF Development History
    • 9.1.2. BDF Calculation Process
    • 9.1.3. Creating a BDF Project
    • 9.1.4. Importing BDF Structure
    • 9.1.5. Generating BDF Input Files
    • 9.1.6. BDF Calculation
    • 9.1.7. BDF results visualization
  • 9.2. DS-PAW Example
    • 9.2.1. DS-PAW Calculation Process
    • 9.2.2. DS-PAW Project Creation
    • 9.2.3. DS-PAW Structure Import
    • 9.2.4. DS-PAW Input File Generation
    • 9.2.5. DS-PAW Calculation
    • 9.2.6. DS-PAW Results Visualization

Miscellaneous

• 1. Frequently Asked Questions and Solutions