CP2K Open Source Molecular Dynamics

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docs [2021/11/28 04:10] – upload my phd thesis pseewalddocs [2024/02/19 15:39] (current) – oschuett
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 ====== More Documentation ====== ====== More Documentation ======
 ===== Talks ===== ===== Talks =====
 +  * {{docs:cp2k_tools_2022.pdf | Developing, Maintaining, Integrating CP2K}}, Marcella Iannuzzi, CECAM 2022.
   * [[https://tube.switch.ch/videos/33180eba | Nanostructures at interfaces: How to understand the wavy flatland with computers]], Marcella Iannuzzi, UZH 2018   * [[https://tube.switch.ch/videos/33180eba | Nanostructures at interfaces: How to understand the wavy flatland with computers]], Marcella Iannuzzi, UZH 2018
   * [[ https://www.youtube.com/watch?v=BJE4bioTJFM | CP2K: Recent performance improvements and new TD-DFT functionality]], Iain Bethune and Matthew Watkins, ARCHER courses 2016   * [[ https://www.youtube.com/watch?v=BJE4bioTJFM | CP2K: Recent performance improvements and new TD-DFT functionality]], Iain Bethune and Matthew Watkins, ARCHER courses 2016
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 ===== Theses ===== ===== Theses =====
 +  * {{docs:phd_thesis_frederick_stein.pdf | Efficient Implementation of Double-Hybrid
 +Functionals for Condensed Phase Systems}}, Frederick Stein, 2022
   * {{docs:phd_thesis_patrick_seewald.pdf | Low-Scaling Electronic Structure Methods Based on Sparse Tensor Contraction}}, Patrick Seewald, 2021   * {{docs:phd_thesis_patrick_seewald.pdf | Low-Scaling Electronic Structure Methods Based on Sparse Tensor Contraction}}, Patrick Seewald, 2021
   * [[doi>10.3929/ethz-b-000315318 | Combining Ehrenfest Molecular Dynamics with Linear Scaling and Subsystem DFT]], Samuel T. Andermatt, 2018   * [[doi>10.3929/ethz-b-000315318 | Combining Ehrenfest Molecular Dynamics with Linear Scaling and Subsystem DFT]], Samuel T. Andermatt, 2018
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   * [[doi>10.5167/uzh-163289 | Excitation energy calculations with TD-DFT]], Thomas Chassaing, 2005   * [[doi>10.5167/uzh-163289 | Excitation energy calculations with TD-DFT]], Thomas Chassaing, 2005
   * [[doi>10.3929/ethz-a-004246326 | Extending length and time scales of ab initio molecular dynamics simulations]], Joost VandeVondele, 2001   * [[doi>10.3929/ethz-a-004246326 | Extending length and time scales of ab initio molecular dynamics simulations]], Joost VandeVondele, 2001
 +  * {{docs:doktorarbeit_gerald_lippert.pdf | Die GAPW-Dichtefunktional-Methode für Ab-Initio-Molekulardynamik-Simulationen}}, Gerald Lippert, 1998
  
 ===== Books ===== ===== Books =====
docs.1638072603.txt.gz · Last modified: by pseewald