Molecular Modeling for Nuclear Waste Manag ...

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General

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Select section Generally useful literature

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Generally useful literature

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Select section Lecture 1 - General Intro - 2025-02-13

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Lecture 1 - General Intro - 2025-02-13
- Select activity NE-M1-PRI12ENP_lecture-1-intro-2025
  
  NE-M1-PRI12ENP_lecture-1-intro-2025 File
- Select activity Clays_in_geological_disposal_systems
  
  Clays_in_geological_disposal_systems File
- Select activity Report on alternative technologies for nuclear waste disposal (FR)
  
  Report on alternative technologies for nuclear waste disposal (FR) File
Select section Lecture 2 - Intro Stat Mech - 2025-02-18

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Lecture 2 - Intro Stat Mech - 2025-02-18
- Select activity NE-M1-PRI12ENP_lecture-2-2025-intro-stat
  
  NE-M1-PRI12ENP_lecture-2-2025-intro-stat File
- Select activity Stat-Mech-MD-MC-basics (ch-8-10-scan)
  
  Stat-Mech-MD-MC-basics (ch-8-10-scan) File
- Select activity Basics of interatomic interactions (ch-3-5-scan)
  
  Basics of interatomic interactions (ch-3-5-scan) File
- Select activity physical-MAC-address-WiFi
  
  physical-MAC-address-WiFi File
- Select activity phys_MAC_address.jpg
  
  phys_MAC_address.jpg File
Select section Lecture 3 - Simulations of water and aqueous systems 2025-02-20

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Lecture 3 - Simulations of water and aqueous systems 2025-02-20
- Select activity NE-M1-PRI12ENP_lecture-3-2025-H2O
  
  NE-M1-PRI12ENP_lecture-3-2025-H2O File
- Select activity finney-philostransb-2004.pdf
  
  finney-philostransb-2004.pdf File
- Select activity guillot-jml-2002.pdf
  
  guillot-jml-2002.pdf File
- Select activity kalinichev-rmg-2001.pdf
  
  kalinichev-rmg-2001.pdf File
Select section Lecture 4 - Simulations of inorganic materials and interfaces 2025-02-27 - 2025-03-06

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Lecture 4 - Simulations of inorganic materials and interfaces 2025-02-27 - 2025-03-06
- Select activity NE-M1-PRI12ENP_lecture-4-2025-inorg_surf
  
  NE-M1-PRI12ENP_lecture-4-2025-inorg_surf File
- Select activity Atomistic simulations of clays with ClayFF / a review
  
  Atomistic simulations of clays with ClayFF / a review File
Select section Lecture 5 - Anatomy of a research paper 2025-03-06

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Lecture 5 - Anatomy of a research paper 2025-03-06
- Select activity M1-NE-PRI12ENP_lecture-5-anatomy_res_paper-2025
  
  M1-NE-PRI12ENP_lecture-5-anatomy_res_paper-2025 File
- Select activity montavon-est-2006.pdf
  
  montavon-est-2006.pdf File
- Select activity churakov-jpcc-2011.pdf
  
  churakov-jpcc-2011.pdf File
- Select activity Advances in Clayff Molecular Simulations
  
  Advances in Clayff Molecular Simulations File
Select section Lecture 6 - Natural Organic Matter (NOM) - 2025-03-31

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Lecture 6 - Natural Organic Matter (NOM) - 2025-03-31
- Select activity NE-M1-PRI12ENP_lecture-6-2025-organic
  
  NE-M1-PRI12ENP_lecture-6-2025-organic File
Select section Lecture 7 - Simulations of Cement Materials

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Lecture 7 - Simulations of Cement Materials
- Select activity A reveiew of force field based approaches to simulations of cementitious materials
  
  A reveiew of force field based approaches to simulations of cementitious materials File
- Select activity NE-M1-PRI12ENP_lecture-7-2025-cement
  
  NE-M1-PRI12ENP_lecture-7-2025-cement File
Select section Lecture 8 - Advanced simulation techniques

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Lecture 8 - Advanced simulation techniques
- Select activity NE-M1-PRI12ENP_lecture-8-2025-advanced
  
  NE-M1-PRI12ENP_lecture-8-2025-advanced File
Select section Exercises

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Exercises
- Select activity NE-M1-PRI12ENP-exercises-2025
  
  NE-M1-PRI12ENP-exercises-2025 File
- Select activity Charte_SSI_version_anglaise.pdf
  
  Charte_SSI_version_anglaise.pdf File
- Select activity Charte-CNRS-Avril-2014.pdf
  
  Charte-CNRS-Avril-2014.pdf File
- Select activity MS-tutorials illustration
  
  MS-tutorials illustration File
- Select activity useful link to the theory of setting up geom. optimization and MD simulation
  
  useful link to the theory of setting up geom. optimization and MD simulation URL
- Select activity structures
  
  structures Folder
- Select activity Best-practices-for-foundations-in-molecular-simulations
  
  Best-practices-for-foundations-in-molecular-simulations File
- Select activity CLAYFF force filed files
  
  CLAYFF force filed files Folder
Select section papers to select for the final project

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papers to select for the final project
- Select activity 1 - adsorption of uranium oxide
  
  1 - adsorption of uranium oxide Folder
- Select activity 2 - Cs on clays
  
  2 - Cs on clays Folder
- Select activity 3 - Na on clays
  
  3 - Na on clays Folder
- Select activity 4 - Sr on clays
  
  4 - Sr on clays Folder
- Select activity 5 - other cations in clays
  
  5 - other cations in clays Folder
- Select activity 6 - ion diffusion in clays
  
  6 - ion diffusion in clays Folder
- Select activity 7 - quartz surface
  
  7 - quartz surface Folder
- Select activity 8 - titanium oxide surface
  
  8 - titanium oxide surface Folder
- Select activity 9 - other mineral surfaces
  
  9 - other mineral surfaces Folder
- Select activity 10 - hydrated ions in cement materials
  
  10 - hydrated ions in cement materials Folder
- Select activity 11 - ions interaction with natural organic matter
  
  11 - ions interaction with natural organic matter Folder
- Select activity 12 - organics in clays
  
  12 - organics in clays Folder
- Select activity 13 - metal surfaces and corrosion
  
  13 - metal surfaces and corrosion Folder
- Select activity 14 - Thorium oxide
  
  14 - Thorium oxide Folder
- Select activity 15 - corrosion-II
  
  15 - corrosion-II Folder
- Select activity 16 - graphite-I
  
  16 - graphite-I Folder
- Select activity 17 - graphite-II
  
  17 - graphite-II Folder
- Select activity 18-bio-applications
  
  18-bio-applications Folder
- Select activity 19-graphene-I
  
  19-graphene-I Folder
- Select activity 20-graphene-II
  
  20-graphene-II Folder
- Select activity 21-activated_carbon
  
  21-activated_carbon Folder
- Select activity 22- clay nanotubes
  
  22- clay nanotubes Folder
- Select activity 23- bio applications II
  
  23- bio applications II Folder
- Select activity 24-At-211
  
  24-At-211 Folder
- Select activity 25-cement-simulations-review
  
  25-cement-simulations-review Folder
- Select activity 26-radionuclides_on_hydrated_cement
  
  26-radionuclides_on_hydrated_cement Folder