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exercises:2015_ethz_mmm:index [2016/02/03 10:07]
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exercises:2015_ethz_mmm:index [2016/02/03 10:09] (current)
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 ====== Exercises ====== ====== Exercises ======
  
-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+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
  
  
-===== Lecture 1 (tentative) ​=====+===== Lecture 1 =====
   - [[single_point_calculation|Single Point Energy Calculation]]   - [[single_point_calculation|Single Point Energy Calculation]]
   - [[geometry_optimization|Geometry Optimization]]   - [[geometry_optimization|Geometry Optimization]]
   - [[nudged_elastic_band|Nudged Elastic Band]]   - [[nudged_elastic_band|Nudged Elastic Band]]
  
-===== Lecture 2 (tentative) ​=====+===== Lecture 2 =====
   - [[c2h2_bond_energy|Bond Strength in a molecule]]   - [[c2h2_bond_energy|Bond Strength in a molecule]]
   - [[alanine_dipeptide|Alanine dipeptide: Ramachandran plot]]   - [[alanine_dipeptide|Alanine dipeptide: Ramachandran plot]]
   - [[alanine_modify|Alanine dipeptide: Modifying the parameters of the force field]]   - [[alanine_modify|Alanine dipeptide: Modifying the parameters of the force field]]
  
-===== Lecture 3 (tentative) ​=====+===== Lecture 3 =====
   - [[surface_Cu|surface energy of Cu(111), Cu(110), Cu(100) and Wulff plot]]   - [[surface_Cu|surface energy of Cu(111), Cu(110), Cu(100) and Wulff plot]]
   - [[surface_Au|surface energy of Au(110): perfect and reconstructed and other faces]]   - [[surface_Au|surface energy of Au(110): perfect and reconstructed and other faces]]
  
-===== Lecture 4 (tentative) ​=====+===== Lecture 4 =====
   - [[MD_ala|Molecular dynamics of alanine dipeptide]]   - [[MD_ala|Molecular dynamics of alanine dipeptide]]
   - [[MD_slab|Molecular dynamics of Au 100 slab]]   - [[MD_slab|Molecular dynamics of Au 100 slab]]
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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 ​(tentative) =====+===== Lecture ​(tentative) =====
   - [[dye_tio|Dye anchoring to TiO$_2$]]   - [[dye_tio|Dye anchoring to TiO$_2$]]
  
-===== Lecture ​(tentative) =====+===== Lecture ​(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: 2016/02/03 10:09 by oschuett