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exercises:2017_ethz_mmm:index [2017/03/24 12:33] – dpasseroneexercises:2017_ethz_mmm:index [2017/06/02 01:10] – dpasserone
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 ===== Lecture 5 ===== ===== Lecture 5 =====
   - [[T_melting_2017|Determination of melting temperature of a copper system from molecular dynamics]]   - [[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) ===== <!--  ===== Lecture 1 (tentative) =====
Line 38: 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