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--- exercises:2017_ethz_mmm:index [2017/03/08 14:44] – dpasserone
+++ exercises:2017_ethz_mmm:index [2020/08/21 10:15] (current) – external edit 127.0.0.1
@@ Line 13: / Line 13: @@
 ===== Lecture 3 =====
-  - [[MC and KMC| Monte Carlo and Kinetic Monte Carlo simulations for the diffusion of molecules on a substrate ]]
+  - [[MC and KMC| Monte Carlo  simulations for the diffusion of "sumanene" molecules on the Ag(111) surface ]]
+  - [[MC and KMC 2| Kinetic Monte Carlo simulations for the diffusion of Hexaiodobenzene molecules on noble metal substrates ]]
-<!-- ===== Lecture 1 (tentative) =====
+===== Lecture 4 =====
+  - [[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]]
+===== 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]]
   - [[geometry_optimization|Geometry Optimization]]
@@ Line 25: / Line 54: @@
   - [[alanine_modify|Alanine dipeptide: Modifying the parameters of the force field]]
-===== Lecture 3 (tentative) =====
-  - [[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]]
 ===== Lecture 4 (tentative) =====
   - [[MD_ala|Molecular dynamics of alanine dipeptide]]
   - [[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) =====