High-throughput examples¶
- High-throughput 1000-level Calculation Process
- Dynamic Monte Carlo
- First Principles Coupled With Thermodynamics Gibbs
- First-principles And Body Modulus Coupling
- Curie temperature calculation
- Construct vacancy configurations and perform first-principles static calculations
- Construct the doping configuration of phase change materials and perform first-principles static calculations
- Construct the grain boundary configuration of phase change materials and perform first-principles static calculations
- Construct atom configurations of substitution types and perform first-principles static calculations
- Construct tetrahedral and octahedral interstitial atom configurations and perform first-principles static calculations
- Index structure and visualization in 180,000 databases through Finder
- High-throughput Automatic Calculation Process：First-principles Relaxation Calculation
- First-principles Band Calculation
- First-principles Density Of States Calculation
- First-principles HSE Calculation
- First-principles NEB Calculation
- Lammps Relaxation Calculation
- Viewing the multitasking working status of the computing module
- Delete specified task
- Change the high-throughput task queue
- Automatic Analysis of Energy Volume
- Automatic Format Display Of Energy, Volume, Band Gap
- Automatic Statistical Analysis Of Energy, Volume, Band Gap
- Automatic Scatter Plot Distribution Of Energy, Volume, Band Gap
- Density analysis of electrical properties of materials
- Band Diagram Analysis of Electrical Properties of Materials
- OpenPhase Workflow
- Opencalphd Workflow
- Automatically Convert Data
- Automatic Training Model
- Automatic Prediction Based on Model
- Automatically Link Large-scale Molecular Dynamics ASE for Simulation