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exercises:2015_ethz_mmm:index [2015/02/12 13:40] – [Euler Cheat Sheet] oschuettexercises:2015_ethz_mmm:index [2016/02/03 10:07] – oschuett
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 ====== Exercises ====== ====== Exercises ======
  
-The following exercises are part of the the course [[http://www.vvz.ethz.ch/Vorlesungsverzeichnis/lerneinheitPre.do?lerneinheitId=97794&semkez=2015S | Molecular and Materials Modelling]] held at ETH Zürich during the spring semester 2015. +The following exercises are part of the the course [[ http://www.vvz.ethz.ch/Vorlesungsverzeichnis/lerneinheitPre.do?lerneinheitId=105400&semkez=2016S | Molecular and Materials Modelling]] held at ETH Zürich during the spring semester 2016. 
  
  
-===== Lecture 1 =====+===== Lecture 1 (tentative) =====
   - [[single_point_calculation|Single Point Energy Calculation]]   - [[single_point_calculation|Single Point Energy Calculation]]
   - [[geometry_optimization|Geometry Optimization]]   - [[geometry_optimization|Geometry Optimization]]
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 ===== Lecture 6 (tentative) ===== ===== Lecture 6 (tentative) =====
 +  - [[exercises:2015_ethz_mmm:monte_carlo_ice|Properties of Ice from Monte Carlo Simulations]]
 +  - [[nacl_md | Observer NaCl dissociation in water ]]
 +  - [[nacl_free_energy | Free Energy Profile of NaCl Dissociation ]]
 +
 +===== Lecture 7 (tentative) =====
   - [[basis_sets|Basis Sets]]   - [[basis_sets|Basis Sets]]
   - [[reaction_energy|Reaction Energy]]   - [[reaction_energy|Reaction Energy]]
   - [[mo_ethene|Molecular orbitals of Ethene]]   - [[mo_ethene|Molecular orbitals of Ethene]]
  
-===== Lecture 7 (tentative) =====+===== Lecture 8 (tentative) =====
   - [[dye_tio|Dye anchoring to TiO$_2$]]   - [[dye_tio|Dye anchoring to TiO$_2$]]
  
-===== Lecture 8 (tentative) =====+===== Lecture 9 (tentative) =====
   - [[hfx_h2ion|Hartree-Fock exchange for the dihydrogen cation]]   - [[hfx_h2ion|Hartree-Fock exchange for the dihydrogen cation]]
   - [[tio2_gap|TiO$_2$ Band Gap as a function of %hfx]]   - [[tio2_gap|TiO$_2$ Band Gap as a function of %hfx]]
   - [[benzene_dimer|Binding Energy of the Benzene Dimer]]   - [[benzene_dimer|Binding Energy of the Benzene Dimer]]
- 
-===== Lecture 9 (tentative) ===== 
-  - [[ls_scf| Linear scaling SCF]] 
-  - [[wannier | Maximally Localized Wannier Functions]] 
  
 ===== Lecture 10 (tentative) ===== ===== Lecture 10 (tentative) =====
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 ===== Lecture 11 (tentative) ===== ===== Lecture 11 (tentative) =====
 +  - [[ls_scf| Linear scaling SCF]]
 +  - [[wannier | Maximally Localized Wannier Functions]]
 +
 +===== Additional bonus exercises (tentative) =====
   - [[UV | UV absorption spectroscopy of water ]]   - [[UV | UV absorption spectroscopy of water ]]
   - [[bs | band structure and DOS of graphene ]]   - [[bs | band structure and DOS of graphene ]]
- 
-===== Lecture 12 (tentative) ===== 
-  - [[monte_carlo_ice | Properties of Ice from Monte Carlo Simulations ]] 
- 
-===== Lecture 13 (tentative) ===== 
-  - [[nacl_md | Observer NaCl dissociation in water ]] 
-  - [[nacl_free_energy | Free Energy Profile of NaCl Dissociation ]] 
  
 ====== Euler Cheat Sheet ====== ====== Euler Cheat Sheet ======
exercises/2015_ethz_mmm/index.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1