Ţącell_dependencies…Ů$9261420d-3754-4820-a4f0-c5bda988157a„´precedence_heuristic §cell_idŮ$9261420d-3754-4820-a4f0-c5bda988157a´downstream_cells_map€˛upstream_cells_map‚§@md_str¨getindexŮ$a169c84e-8ebe-4d4e-9cb7-50bba046c14e„´precedence_heuristic§cell_idŮ$a169c84e-8ebe-4d4e-9cb7-50bba046c14e´downstream_cells_map§PlutoUI˛upstream_cells_map€Ů$d30d3c8a-5a60-43bc-a995-0e4aadd13c2a„´precedence_heuristic §cell_idŮ$d30d3c8a-5a60-43bc-a995-0e4aadd13c2a´downstream_cells_map€˛upstream_cells_mapƒ¤BaseŽBase.Docs.HTMLŠ@html_strŮ$09579796-7e0e-4990-b727-b20f63242bcb„´precedence_heuristic §cell_idŮ$09579796-7e0e-4990-b727-b20f63242bcb´downstream_cells_map€˛upstream_cells_map‚§@md_str¨getindexŮ$c0da4104-9a5a-4553-8df0-fdadd0194c14„´precedence_heuristic §cell_idŮ$c0da4104-9a5a-4553-8df0-fdadd0194c14´downstream_cells_map€˛upstream_cells_map‚§@md_str¨getindex´cell_execution_order•Ů$a169c84e-8ebe-4d4e-9cb7-50bba046c14eŮ$9261420d-3754-4820-a4f0-c5bda988157aŮ$d30d3c8a-5a60-43bc-a995-0e4aadd13c2aŮ$09579796-7e0e-4990-b727-b20f63242bcbŮ$c0da4104-9a5a-4553-8df0-fdadd0194c14´last_hot_reload_timeËŽprocess_statusĽready¤pathŮH/home/runner/work/showcases.matmat.org/showcases.matmat.org/src/index.jl­pluto_version¨v0.20.21Şcell_order•Ů$9261420d-3754-4820-a4f0-c5bda988157aŮ$d30d3c8a-5a60-43bc-a995-0e4aadd13c2aŮ$09579796-7e0e-4990-b727-b20f63242bcbŮ$c0da4104-9a5a-4553-8df0-fdadd0194c14Ů$a169c84e-8ebe-4d4e-9cb7-50bba046c14eąpublished_objects€ĽnbpkgŠśwaiting_for_permissionÂŮ,waiting_for_permission_but_probably_disabled²installed_versions§PlutoUIŚ0.7.61°terminal_outputs‚Şnbpkg_syncÚ† Resolving... ===  Installed Tricks ── v0.1.10  Installed MIMEs ─── v1.0.0  Installed PlutoUI ─ v0.7.61  Project No packages added to or removed from `~/.julia/scratchspaces/c3e4b0f8-55cb-11ea-2926-15256bba5781/pkg_envs/env_wuxmmwgjve/Project.toml`  Updating `~/.julia/scratchspaces/c3e4b0f8-55cb-11ea-2926-15256bba5781/pkg_envs/env_wuxmmwgjve/Manifest.toml` [c8ffd9c3] - MbedTLS_jll v2.28.6+0 [f43a241f] ↑ Downloads v1.6.0 ⇒ v1.7.0 [ac6e5ff7] + JuliaSyntaxHighlighting v1.12.0 [37e2e46d] ↑ LinearAlgebra v1.11.0 ⇒ v1.12.0 [ca575930] ↑ NetworkOptions v1.2.0 ⇒ v1.3.0 [44cfe95a] ↑ Pkg v1.11.0 ⇒ v1.12.0 [f489334b] + StyledStrings v1.11.0 [e66e0078] ↑ CompilerSupportLibraries_jll v1.1.1+0 ⇒ v1.3.0+1 [deac9b47] ↑ LibCURL_jll v8.6.0+0 ⇒ v8.15.0+0 [e37daf67] ↑ LibGit2_jll v1.7.2+0 ⇒ v1.9.0+0 [29816b5a] ↑ LibSSH2_jll v1.11.0+1 ⇒ v1.11.3+1 [14a3606d] ↑ MozillaCACerts_jll v2023.12.12 ⇒ v2025.5.20 [4536629a] ↑ OpenBLAS_jll v0.3.27+1 ⇒ v0.3.29+0 [458c3c95] + OpenSSL_jll v3.5.4+0 [83775a58] ↑ Zlib_jll v1.2.13+1 ⇒ v1.3.1+2 [8e850b90] ↑ libblastrampoline_jll v5.11.0+0 ⇒ v5.15.0+0 [8e850ede] ↑ nghttp2_jll v1.59.0+0 ⇒ v1.64.0+1 [3f19e933] ↑ p7zip_jll v17.4.0+2 ⇒ v17.7.0+0 Instantiating... === Precompiling... === Waiting for notebook process to start... Done. Starting precompilation... §PlutoUIÚ† Resolving... ===  Installed Tricks ── v0.1.10  Installed MIMEs ─── v1.0.0  Installed PlutoUI ─ v0.7.61  Project No packages added to or removed from `~/.julia/scratchspaces/c3e4b0f8-55cb-11ea-2926-15256bba5781/pkg_envs/env_wuxmmwgjve/Project.toml`  Updating `~/.julia/scratchspaces/c3e4b0f8-55cb-11ea-2926-15256bba5781/pkg_envs/env_wuxmmwgjve/Manifest.toml` [c8ffd9c3] - MbedTLS_jll v2.28.6+0 [f43a241f] ↑ Downloads v1.6.0 ⇒ v1.7.0 [ac6e5ff7] + JuliaSyntaxHighlighting v1.12.0 [37e2e46d] ↑ LinearAlgebra v1.11.0 ⇒ v1.12.0 [ca575930] ↑ NetworkOptions v1.2.0 ⇒ v1.3.0 [44cfe95a] ↑ Pkg v1.11.0 ⇒ v1.12.0 [f489334b] + StyledStrings v1.11.0 [e66e0078] ↑ CompilerSupportLibraries_jll v1.1.1+0 ⇒ v1.3.0+1 [deac9b47] ↑ LibCURL_jll v8.6.0+0 ⇒ v8.15.0+0 [e37daf67] ↑ LibGit2_jll v1.7.2+0 ⇒ v1.9.0+0 [29816b5a] ↑ LibSSH2_jll v1.11.0+1 ⇒ v1.11.3+1 [14a3606d] ↑ MozillaCACerts_jll v2023.12.12 ⇒ v2025.5.20 [4536629a] ↑ OpenBLAS_jll v0.3.27+1 ⇒ v0.3.29+0 [458c3c95] + OpenSSL_jll v3.5.4+0 [83775a58] ↑ Zlib_jll v1.2.13+1 ⇒ v1.3.1+2 [8e850b90] ↑ libblastrampoline_jll v5.11.0+0 ⇒ v5.15.0+0 [8e850ede] ↑ nghttp2_jll v1.59.0+0 ⇒ v1.64.0+1 [3f19e933] ↑ p7zip_jll v17.4.0+2 ⇒ v17.7.0+0 Instantiating... === Precompiling... === Waiting for notebook process to start... Done. Starting precompilation... §enabledĂŹinstantiatedárestart_recommended_msgŔ´restart_required_msgŔŻinstall_time_nsĎŢ(:ů­busy_packagesŤcell_inputs…Ů$9261420d-3754-4820-a4f0-c5bda988157a„§cell_idŮ$9261420d-3754-4820-a4f0-c5bda988157a¤codeŮ!md""" # MatMat group research """¨metadataƒŠshow_logsèdisabledÂŽskip_as_scriptÂŤcode_foldedĂŮ$a169c84e-8ebe-4d4e-9cb7-50bba046c14e„§cell_idŮ$a169c84e-8ebe-4d4e-9cb7-50bba046c14e¤code­using PlutoUI¨metadataƒŠshow_logsèdisabledÂŽskip_as_scriptÂŤcode_foldedĂŮ$d30d3c8a-5a60-43bc-a995-0e4aadd13c2a„§cell_idŮ$d30d3c8a-5a60-43bc-a995-0e4aadd13c2a¤codeŮhtml""" MatMat logo """¨metadataƒŠshow_logsèdisabledÂŽskip_as_scriptÂŤcode_foldedĂŮ$09579796-7e0e-4990-b727-b20f63242bcb„§cell_idŮ$09579796-7e0e-4990-b727-b20f63242bcb¤codeŮňmd""" This repository contains research showcases of the MatMat group. If you **spot an error** feel free to make a pull request to the [**github repository**](https://github.com/epfl-matmat/showcases.matmat.org) generating this website. """¨metadataƒŠshow_logsèdisabledÂŽskip_as_scriptÂŤcode_foldedĂŮ$c0da4104-9a5a-4553-8df0-fdadd0194c14„§cell_idŮ$c0da4104-9a5a-4553-8df0-fdadd0194c14¤codeÚ\md""" ## 2025 [**Algorithmic Differentiation in Plane-wave Density Functional Theory:**](https://showcases.matmat.org/2025/autodiff_dftk.html) PhD topic of Niklas Schmitz [**Practical error estimates for DFT-computed properties:**](https://showcases.matmat.org/2025/error_estimate_properties.html) PhD topic of Bruno Ploumhans [**Kohn-Sham inversion using Moreau-Yosida regularisation:**](https://showcases.matmat.org/2025/kohn_sham_inversion.html) Collaboration with the Laestadius group from OsloMet, journal article [DOI 10.1103/PhysRevB.111.205143](https://doi.org/10.1103/PhysRevB.111.205143) """¨metadataƒŠshow_logsèdisabledÂŽskip_as_scriptÂŤcode_foldedĂŤnotebook_idŮ$3c2b515a-cc6a-11f0-b8fe-c958134c47aeĽbonds€Źcell_results…Ů$9261420d-3754-4820-a4f0-c5bda988157aŠŚqueued¤logs§runningÂŚoutput†¤bodyŮV

MatMat group research

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This repository contains research showcases of the MatMat group.

If you spot an error feel free to make a pull request to the github repository generating this website.

°persist_js_state¤mimeŠtext/html˛last_run_timestampËAÚJmów۔ˇhas_pluto_hook_featuresÂŹrootassigneeŔ§cell_idŮ$09579796-7e0e-4990-b727-b20f63242bcbšdepends_on_disabled_cells§runtimeΐ˘ľpublished_object_keys¸depends_on_skipped_cells§erroredÂŮ$c0da4104-9a5a-4553-8df0-fdadd0194c14ŠŚqueued¤logs§runningÂŚoutput†¤bodyÚä

2025

Algorithmic Differentiation in Plane-wave Density Functional Theory: PhD topic of Niklas Schmitz

Practical error estimates for DFT-computed properties: PhD topic of Bruno Ploumhans

Kohn-Sham inversion using Moreau-Yosida regularisation: Collaboration with the Laestadius group from OsloMet, journal article DOI 10.1103/PhysRevB.111.205143

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