MuST Framework Project
MuST is a research project supported by the National Science Foundation to build a public ab initio electronic structure calculation software package, with petascale and beyond computing capability, for the first principles study of quantum phenomena in disordered materials. The MuST package is now (as of January 1st, Year 2020) free to download on GitHub (https://github.com/mstsuite/MuST) under a BSD 3-clause license.
YouTube channel: https://www.youtube.com/MuSTProgramforDisorderedMaterials
The ultimate goal of MuST project is to provide a computational framework for the investigation of quantum phase transitions and electron localization in the presence of disorder in real materials, and enable the computational study of local chemical correlation effects on the magnetic structure, phase stability, and mechanical properties of solid-state materials with complex structures.
The MuST project is a team effort, requiring to involve dedicated researchers from condensed matter physics, high-performance computing, computational materials science, applied mathematics and software engineering communities. The current participants of the MuST project include:
- Wang, Yang (Pittsburgh Supercomputing Center, Carnegie Mellon University, USA)
- Eisenbach, Markus (Center for Computational Sciences, Oak Ridge National Laboratory, USA)
- Xianglin, Liu (Peng Cheng Laboratory, Shenzhen, China)
- Zhang, Yi (Kavli Institute for Theoretical Sciences, Beijing 100190, China)
- Tam, Ka-Ming (Department of Physics, Louisianna State University, USA)
- Terletska, Hanna (Department of Physics, Middle Tennessee State University, USA)
- Chioncel, Liviu (Institute of Physics, Augsburg University, Germany)
1. Download the package
> git clone https://github.com/mstsuite/MuST
2. Modify/Create your own architecture file, your_architecture_file, under the MuST/architecture/ directory
3. Build the excutables
> cd MuST
> make your_architecture_file
> make install
If the above procedures are successful, the excutable binaries are created under directory MuST/bin/.
MuST package are periodically updated with new releases, including bug fixes and addiontional functionalities. You may update and rebuild your code using the following commands.
> cd MuST
> git pull
> make clean
> make your_architecture_file
Here you can find more information on the physics of MuST.
https://github.com/mstsuite/MuST/wiki/Physics-you-can-do-with-MuST
The current research efforts in the development of MuST are supported in part by NSF Office of Advanced Cyberinfrastructure and the Division of Materials Research within the NSF Directorate of Mathematical and Physical Sciences under award number 1931367 (Terletska), 1931445 (Tam), 1931525 (Wang), and 2103958 (Raghuraman and Widom).
