Category: Others

Analysis software that determines 2D material structures from quantum-beam diffraction data (predecessor of ODAT-SE)

• Determine structures of surfaces and 2D materials from diffraction data

Optimization and inverse-problem framework for experimental data analysis (formerly 2DMAT)

• Determine structures from experimental data such as total-reflection high-energy positron diffraction
• Solve inverse problems with Bayesian optimization, replica exchange and other methods

Job-execution support tool for high-throughput calculations on supercomputers (part of HTP-tools)

• Run many calculations together on a supercomputer

[Template] Skeleton for writing direct-problem solver modules for ODAT-SE

Linear-equation solver library based on the shifted Krylov subspace method (dynamical Green's functions)

• Compute dynamical Green's functions at many frequencies efficiently

Collection of shell scripts for installing open-source computational materials science software and tools

• Install computational materials science applications on supercomputers or local machines in one go