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- Version 2
- by (unknown)
- Version 3
- by (unknown)
Deletions or items before changed
Additions or items after changed
| 1 | - | This is a draft accumulation of the electronic structure and molecular dynamics codes hosted on nanoHUB. |
+ | ''This is a draft accumulation of the electronic structure and molecular dynamics codes hosted on nanoHUB. When complete, this page will link to both the tools and the supplemental material.''
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| 4 | + | ==Tools==
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| 5 | [[Resource(strainbands)]] | |||
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| 8 | powered by: | |||
| 9 | - | Electronic structure calculations performed by PWscf and Quantum-Espresso v3.2.2
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+ | Electronic structure calculations performed by PWscf and Quantum-Espresso v3.2.2. Maximally-localised Wannier functions calculated by Wannier90 v1.0.2
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| 10 | - | Maximally-localised Wannier functions calculated by Wannier90 v1.0.2
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| 13 | [[Resource(dftqe)]] | |||
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| 15 | [[Resource(abinit)]] | |||
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| 17 | [[Resource(qclab)]] powered by GAMESS | |||
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| 20 | [[Resource(nmst_dft)]] powered by Seaquest | |||
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| 22 | [[Resource(matsimtk)]] powered by Strachan Group MD | |||
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| 24 | + | ==Supplemental Material==
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| 26 | - | + | [/topics/MD Molecular dynamics simulations of materials] is a topics page on MD which summarizes some of the MD tools. |
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