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exercises:2017_ethz_mmm:index [2017/03/17 04:19] dpasseroneexercises:2017_ethz_mmm:index [2017/06/02 01:10] dpasserone
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   - [[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 1 (tentative) =====+===== Lecture 5 ===== 
 +  - [[T_melting_2017|Determination of melting temperature of a copper system from molecular dynamics]] 
 + 
 +===== Lecture 7 ===== 
 +  - [[replica_2017|Sampling the disordering of a cluster using replica exchange]] 
 + 
 +===== Lecture 8 ===== 
 +  - [[Reaction_energy_2017|Dehydration of ethanol]] 
 + 
 +===== Lecture 9 ===== 
 +  - [[c2h2_PdGa|Adsorption energy of acetylene on PdGa]] 
 + 
 +===== Lecture 10 ===== 
 +  - [[bands_1|Crystallographic point groups, free electron model]] 
 + 
 +===== Lecture 11 ===== 
 +  - [[bands_2|Bandstructure calculations]] 
 + 
 +===== Lecture 12 ===== 
 +  - [[STM|Scanning Tunnelling Microscopy]] 
 + 
 +===== Lecture 13 ===== 
 +  - [[QMMM|Validation of a QM/MM model for KCl]] 
 + 
 +<!--  ===== 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]]
Line 35: Line 59:
   - [[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]]
 +
 +===== Lecture 5 (tentative) =====
 +  - [[T_melting|Determination of melting temperature of a Lennard-Jones system from molecular dynamics]]
  
 ===== Lecture 5 (tentative) ===== ===== Lecture 5 (tentative) =====
exercises/2017_ethz_mmm/index.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1