https://www.cp2k.org/ 2026-04-16T10:48:44+00:00 https://www.cp2k.org/ https://www.cp2k.org/_media/wiki:logo.png text/html 2026-04-10T15:26:00+00:00 oschuett (oschuett@undisclosed.example.com) https://www.cp2k.org/about?rev=1775834760&do=diff About CP2K CP2K is a quantum chemistry and solid state physics software package that can perform atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems. CP2K provides a general framework for different modeling methods such as text/html 2026-04-10T15:25:44+00:00 oschuett (oschuett@undisclosed.example.com) https://www.cp2k.org/gpu?rev=1775834744&do=diff Status of GPU Support in CP2K Library Status Accelerates Backends NGC Container DBCSR Ready LS-SCF CUDA, HIP, OpenCL Included text/html 2026-03-30T16:56:14+00:00 oschuett (oschuett@undisclosed.example.com) https://www.cp2k.org/dev:packages?rev=1774889774&do=diff text/html 2026-03-19T13:01:28+00:00 marcella (marcella@undisclosed.example.com) https://www.cp2k.org/?image=news%3Acommon%3Acp2k_25_poster_temp_list.2.jpeg&ns=news%3Acommon&rev=1773925288&tab_details=history&media_do=diff&do=media <img src="https://www.cp2k.org/_media/news:common:cp2k_25_poster_temp_list.2.jpeg?w=500&amp;h=500&amp;tok=4474f0" alt="cp2k_25_poster_temp_list.2.jpeg" loading="lazy" width="500" height="500" /> text/html 2026-03-02T08:04:54+00:00 marcella (marcella@undisclosed.example.com) https://www.cp2k.org/?image=news%3Acommon%3Acp2k_25_poster_temp_list.1.jpeg&ns=news%3Acommon&rev=1772438694&tab_details=history&media_do=diff&do=media <img src="https://www.cp2k.org/_media/news:common:cp2k_25_poster_temp_list.1.jpeg?w=500&amp;h=500&amp;tok=aa3adb" alt="cp2k_25_poster_temp_list.1.jpeg" loading="lazy" width="500" height="500" /> text/html 2026-03-02T08:02:31+00:00 marcella (marcella@undisclosed.example.com) https://www.cp2k.org/?image=0%3Acp2k_25_poster_temp_list.2.jpeg&ns=0&rev=1772438551&tab_details=history&media_do=diff&do=media <img src="https://www.cp2k.org/_media/0:cp2k_25_poster_temp_list.2.jpeg?w=500&amp;h=500&amp;tok=78177a" alt="cp2k_25_poster_temp_list.2.jpeg" loading="lazy" width="500" height="500" /> text/html 2026-03-02T08:02:09+00:00 marcella (marcella@undisclosed.example.com) https://www.cp2k.org/?image=0%3Acp2k_25_poster_temp_list.1.jpeg&ns=0&rev=1772438529&tab_details=history&media_do=diff&do=media <img src="https://www.cp2k.org/_media/0:cp2k_25_poster_temp_list.1.jpeg?w=500&amp;h=500&amp;tok=3eb0b4" alt="cp2k_25_poster_temp_list.1.jpeg" loading="lazy" width="500" height="500" /> text/html 2026-02-06T12:33:47+00:00 marcella (marcella@undisclosed.example.com) https://www.cp2k.org/news:common:index?rev=1770381227&do=diff Quickstep to the Future, 25 Years of CP2K Celebrating Innovations in Atomistic Simulations Since its first steps in June 2001, CP2K has grown into a widely used open-source package for atomistic simulations of molecules, interfaces, and solid-state systems, reaching more than 2000 citations per year. From ab initio molecular dynamics to large-scale condensed phase simulations, and from hybrid functional calculations to enhanced sampling, CP2K has brought advantages to many communities. To mark… text/html 2026-01-08T13:28:11+00:00 oschuett (oschuett@undisclosed.example.com) https://www.cp2k.org/dev:makefile?rev=1767878891&do=diff text/html 2026-01-06T13:41:54+00:00 oschuett (oschuett@undisclosed.example.com) https://www.cp2k.org/download?rev=1767706914&do=diff Downloading CP2K What can be downloaded ? The source of CP2K is open and freely available for everybody under the GPL license. Installation instructions can be found on the wiki and in the INSTALL.md file which is part of the download. The sparse matrix library DBCSR is part of CP2K, and made available standalone at text/html 2026-01-06T13:27:35+00:00 oschuett (oschuett@undisclosed.example.com) https://www.cp2k.org/version_history?rev=1767706055&do=diff Version History Here you can see which new features / functionality are available in the released versions of CP2K Trunk (development) Features available or under development in the latest git version (<https://github.com/cp2k/cp2k>) 2026.1 Released January 6, 2026 The release notes are at text/html 2026-01-06T13:27:01+00:00 oschuett (oschuett@undisclosed.example.com) https://www.cp2k.org/news?rev=1767706021&do=diff News * Workshop : Quickstep to the Future, 25 Years of CP2K CP2K version 2026.1 released (January 6, 2026) A new official CP2K version has been released. A list of new features, code change and bug fixes together downloadable sources and tarball are available at <https://github.com/cp2k/cp2k/releases/tag/v2026.1>. CP2K version 2025.2 released (July 23, 2025) text/html 2026-01-06T10:01:29+00:00 oschuett (oschuett@undisclosed.example.com) https://www.cp2k.org/dev:release_checklist?rev=1767693689&do=diff Release Checklist 1. Check that the dashboard is green and there are no other blocking issues 2. Cut the release version git checkout -b support/v20XX.Y Edit the cp2k_version string in src/cp2k_info.F and CMakeLists.txt (⚠️ remove the Development Version). tools/build_utils/get_revision_number src >REVISION git add REVISION src/cp2k_info.F CMakeLists.txt git commit -m "Cut release version 20XX.Y" text/html 2025-12-29T04:44:23+00:00 jglan (jglan@undisclosed.example.com) https://www.cp2k.org/exercises:common:reading_list?rev=1766983463&do=diff Books * Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory, Attila Szabo * Molecular Electronic-Structure Theory, Trygve Helgaker, Poul Jørgensen, and Jeppe Olsen * Electronic Structure: Basic Theory and Practical Methods, Richard M. Martin text/html 2025-11-28T12:49:09+00:00 rschade (rschade@undisclosed.example.com) https://www.cp2k.org/?image=dev%3Acp2k_dev_meeting_27_10_25.pdf&ns=dev&rev=1764334149&tab_details=history&media_do=diff&do=media <img src="https://www.cp2k.org/lib/images/fileicons/svg/pdf.svg" alt="cp2k_dev_meeting_27_10_25.pdf" loading="lazy" width="500" height="500" /> text/html 2025-11-28T12:47:55+00:00 rschade (rschade@undisclosed.example.com) https://www.cp2k.org/dev:meetings?rev=1764334075&do=diff Developer Meetings Announcements CP2K Developer meetings are announced at <https://github.com/cp2k/cp2k/discussions> and happen two-four times per year in a virtual format. Notes * CP2K Developers Meeting 27th October 2025: * CP2K Developers Meeting 24nd February 2025: * CP2K Developers Meeting 22nd Juli 2024: text/html 2025-11-08T12:15:09+00:00 marcella (marcella@undisclosed.example.com) https://www.cp2k.org/science?rev=1762604109&do=diff XAS for Single Molecule-Magnet The Journal of Physical Chemistry Letters 2025 Design of STM Tips for Spin-State Modulation Nano Micro Small 2025 Transport in confined electrolytes The Journal of Chemical Physics 2025 Charge Transfer to Solvent Jinggang Lan, Majed Chergui, Alfredo Pasquarello; Dynamics of the charge transfer to solvent process in aqueous iodide text/html 2025-11-08T12:12:32+00:00 marcella (marcella@undisclosed.example.com) https://www.cp2k.org/?image=science%3Ajpl_xas.png&ns=science&rev=1762603952&tab_details=history&media_do=diff&do=media <img src="https://www.cp2k.org/_media/science:jpl_xas.png?w=500&amp;h=500&amp;tok=0e187a" alt="jpl_xas.png" loading="lazy" width="500" height="500" /> text/html 2025-11-08T11:44:58+00:00 marcella (marcella@undisclosed.example.com) https://www.cp2k.org/?image=science%3Atoc_small.png&ns=science&rev=1762602298&tab_details=history&media_do=diff&do=media <img src="https://www.cp2k.org/_media/science:toc_small.png?w=500&amp;h=500&amp;tok=bd6667" alt="toc_small.png" loading="lazy" width="500" height="500" /> text/html 2025-10-10T15:21:04+00:00 marcella (marcella@undisclosed.example.com) https://www.cp2k.org/?image=science%3Apastedgraphic-1.png&ns=science&rev=1760109664&tab_details=history&media_do=diff&do=media <img src="https://www.cp2k.org/_media/science:pastedgraphic-1.png?w=500&amp;h=500&amp;tok=f4ff98" alt="pastedgraphic-1.png" loading="lazy" width="500" height="500" />