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--- docs [2019/04/07 23:39] – [Theses] oschuett
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   * [[events:2015_cecam_tutorial:index | 4th CP2K Tutorial (2015) ]]
   * [[http://www.chem.pitt.edu/events/dr-joost-vandevondele-5th-henry-frank-lecture | CP2K workshop at Pitt March 10th]]
-  * [[http://www.cecam.org/workshop-1191.html| Hybrid Quantum Mechanics/Molecular Mechanics (QM/MM) Approaches to Biochemistry and Beyond (2015)]]
+  * [[http://www.cecam.org/workshop1191| Hybrid Quantum Mechanics/Molecular Mechanics (QM/MM) Approaches to Biochemistry and Beyond (2015)]]
   * [[events:2015_user_meeting:index| 2nd Annual CP2K UK Users Meeting (2015) ]]
   * [[http://archer.ac.uk/training/course-material/2014/08/CP2K/ | NSCCS / ARCHER CP2K UK Workshop 2014 ]]
@@ Line 28: / Line 28: @@
   * [[http://events.prace-ri.eu/conferenceDisplay.py?ovw=True&confId=280 | Parallel Materials Modelling Packages (23-25 April 2014) ]] (includes CP2K) ([[http://www.archer.ac.uk/training/course-material/2014/04/PMMP_UCL/|Course Materials]])
   * [[events:2014_user_meeting:index| 1st Annual CP2K UK Users Meeting (2014) ]]
-  * [[http://www.cecam.org/workshop-902.html| 3rd CP2K Tutorial (2013) ]]
+  * [[http://www.cecam.org/workshop902| 3rd CP2K Tutorial (2013) ]]
-  * [[http://www.cecam.org/workshop-529.html| 2nd CP2K Tutorial: enabling the power of imagination in MD simulations (2011)]]
+  * [[http://www.cecam.org/workshop529| 2nd CP2K Tutorial: enabling the power of imagination in MD simulations (2011)]]
-  * [[http://www.cecam.org/workshop-515.html| Hybrid Quantum Mechanics/Molecular Mechanics (QM/MM) Approaches to Biochemistry (and beyond) (2011)]]
+  * [[http://www.cecam.org/workshop515| Hybrid Quantum Mechanics/Molecular Mechanics (QM/MM) Approaches to Biochemistry (and beyond) (2011)]]
-  * [[http://www.cecam.org/workshop-273.html|1st CP2K Tutorial: enabling the power of imagination in MD simulations (2009)]]
+  * [[http://www.cecam.org/workshop273|1st CP2K Tutorial: enabling the power of imagination in MD simulations (2009)]]
-  * [[http://www.cecam.org/workshop-222.html|Standardisation and databasing of ab-initio and classical simulations (2008)]]
+  * [[http://www.cecam.org/workshop222|Standardisation and databasing of ab-initio and classical simulations (2008)]]
 ===== Technical Reports =====
-  * [[http://www.prace-ri.eu/IMG/pdf/wp140.pdf| Optimising CP2K for the Intel Xeon Phi]], F. Reid, I. Bethune, PRACE White Paper, 2013
+  * [[https://www.archer.ac.uk/community/eCSE/eCSE08-09/ecse0809_Technical_Report.pdf| Electron Transport based on Non-Equilibrium-Green’s-Functions Method]], Sergey K. Chulkov, et al., March 2018
-  * [[http://www.prace-ri.eu/IMG/pdf/wp152.pdf| Evaluating CP2K on Exascale Hardware: Intel Xeon Phi]], F. Reid, I. Bethune, PRACE White Paper, 2013
+  * [[https://www.archer.ac.uk/community/eCSE/eCSE03-11/eCSE0311.pdf| Local Excitement in CP2K]], Sergey K. Chulkov, Matthew B. Watkins, and Iain Bethune, March 2017
-  * [[http://www.prace-ri.eu/IMG/pdf/CP2K_-_Scalable_Atomistic_Simulation_for_the_PRACE_Community.pdf| CP2K - Scalable Atomistic Simulations for the PRACE Community]], I. Bethune, A. Carter, K. Stratford, P. Korosoglou, PRACE White Paper, 2012
+  * [[https://prace-ri.eu/wp-content/uploads/wp140.pdf| Optimising CP2K for the Intel Xeon Phi]], F. Reid, I. Bethune, PRACE White Paper, 2013
+  * [[https://prace-ri.eu/wp-content/uploads/wp155.pdf| Enabling CP2K Application for Exascale Computing with Accelerators using OpenACCand OpenCL]], M. Uchrońskia, A. Kwiecieńa, M. Gębarowskia, PRACE White Paper, 2013
+  * [[https://prace-ri.eu/wp-content/uploads/wp152.pdf| Evaluating CP2K on Exascale Hardware: Intel Xeon Phi]], F. Reid, I. Bethune, PRACE White Paper, 2013
+ * [[https://prace-ri.eu/wp-content/uploads/wp51_high_performance_mp2_for_condensed_phase_simulations.pdf| High Performance MP2 for Condensed Phase Simulations]] R. Reyesa, I. Bethune, PRACE White Paper, 2013
+  * [[https://prace-ri.eu/wp-content/uploads/CP2K_-_Scalable_Atomistic_Simulation_for_the_PRACE_Community-2.pdf| CP2K - Scalable Atomistic Simulations for the PRACE Community]], I. Bethune, A. Carter, K. Stratford, P. Korosoglou, PRACE White Paper, 2012
   * [[http://www.hector.ac.uk/cse/distributedcse/reports/cp2k03/cp2k03.pdf|CP2K - Sparse Linear Algebra on 1000s of Cores]], I. Bethune, HECToR dCSE Report, Jan 2012
-  * [[http://www.prace-ri.eu/IMG/pdf/cp2k.pdf| Million Atom KS-DFT with CP2K]], I. Bethune, A. Carter, X. Guo, P. Korosoglou, PRACE White Paper, 2011
+  * [[https://prace-ri.eu/wp-content/uploads/Million_Atom_KS-DFT_with_CP2K.pdf| Million Atom KS-DFT with CP2K]], I. Bethune, A. Carter, X. Guo, P. Korosoglou, PRACE White Paper, 2011
   * [[http://www.hector.ac.uk/cse/distributedcse/reports/cp2k02/cp2k02_final_report.pdf| Improving the scalability of CP2K on multi-core systems]], I. Bethune, HECToR dCSE Report, Sep 2010
   * [[http://www.hector.ac.uk/cse/distributedcse/reports/cp2k/cp2k_final_report.pdf| Improving the performance of CP2K on HECToR]], I. Bethune, HECToR dCSE Report, Jul 2009