materials science
Projects with this topic
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a demonstrator for mapping with rdf-diagrams based on the alloy-development process
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CalcTroll is designed for keeping track of atomic-scale materials calculations.
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Thermodynamic solver for ferroic and quantum materials.
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A plugin to interface CASTEP with AiiDA (Automated Interactive Infrastructure and Database for Computational Science).
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Optimization of irradiation conditions with SRIM
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A package for finding minimum energy path and transition state, for FHI-aims (https://fhi-aims.org/): This project aims to provide an all-in-one package for various flavours of the chain of states methods for finding the minimum energy path(MEP). Currently the nudged elastic band method (NEB), the string method, and the growing string method are included. Originally developed by Yingyu Yao ( https://github.com/yingyuyao/aimsChain )
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SC-MD: A Shift/Collapse (SC) Hybrid MPI/OpenMP/GPU/MIC Molecular Dynamics Code for Many-Body Potentials
SC-MD is a fast and highly scalable molecular dynamics (MD) simulator specialized for many-body potential on large-scale computing platforms.
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