# \#materials-science

**URL:** https://discourse.julialang.org/tag/materials-science/421.md

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## [\[ANN\] Enumlib.jl: a package for derivative structure enumeration](https://discourse.julialang.org/t/ann-enumlib-jl-a-package-for-derivative-structure-enumeration/139475)

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**Author:** [@Gus\_Hart](https://discourse.julialang.org/u/Gus_Hart)\
**Replies:** 0\
**Last updated:** [September 15, 2026, 2:29am UTC](https://discourse.julialang.org/t/ann-enumlib-jl-a-package-for-derivative-structure-enumeration/139475 "2026-09-15T02:29:31Z")

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Most users of my original enumlib will go on calling it (this new code) from inside Python, obliviously—so this probably appeals only to a handful of computational materials scientists here. But it is the culmination of …

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## [Interest in chemistry-focused BoF?](https://discourse.julialang.org/t/interest-in-chemistry-focused-bof/56425)

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**Author:** [@rkurchin](https://discourse.julialang.org/u/rkurchin)\
**Replies:** 56\
**Last updated:** [July 27, 2021, 9:26pm UTC](https://discourse.julialang.org/t/interest-in-chemistry-focused-bof/56425 "2021-07-27T21:26:14Z")

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Hey Julia fam! I was thinking that it would be cool to organize a BoF session at JuliaCon focused around folks who use Julia for chemistry- and/or materials-related things. I bounced the idea off of @tim.holy and he was…

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## [\[ANN\] SymmetryReduceBZ.jl: reduce the Brillouin zone by symmetry](https://discourse.julialang.org/t/ann-symmetryreducebz-jl-reduce-the-brillouin-zone-by-symmetry/64603)

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**Author:** [@jerjorg](https://discourse.julialang.org/u/jerjorg)\
**Replies:** 3\
**Last updated:** [August 14, 2021, 8:54pm UTC](https://discourse.julialang.org/t/ann-symmetryreducebz-jl-reduce-the-brillouin-zone-by-symmetry/64603 "2021-08-14T20:54:43Z")

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Calculating the properties of crystalline materials requires numeric integration. The function integrated is costly to evaluate, so symmetry is used to reduce the number of function evaluations. SymmetryReduceBZ.jl is a …

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## [\[ANN\] DFTK.jl - A pure-Julia implementation of density-functional theory](https://discourse.julialang.org/t/ann-dftk-jl-a-pure-julia-implementation-of-density-functional-theory/40806)

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**Author:** [@mfh](https://discourse.julialang.org/u/mfh)\
**Replies:** 7\
**Last updated:** [June 22, 2020, 5:16pm UTC](https://discourse.julialang.org/t/ann-dftk-jl-a-pure-julia-implementation-of-density-functional-theory/40806 "2020-06-22T17:16:40Z")

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DFTK, the density-functional toolkit, is a Julia package @antoine-levitt and me started about a year ago and now we feel it is time to announce it to the community! The aim of the package is to become a platform for met…