exercises:2017_ethz_mmm:index
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| exercises:2017_ethz_mmm:index [2017/02/24 09:21] – [Lecture 1] dpasserone | exercises:2017_ethz_mmm:index [2020/08/21 10:15] (current) – external edit 127.0.0.1 | ||
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| - [[lennard_jones_cluster_neb| 3D 38 Atom Lennard-Jones cluster - transition paths ]] | - [[lennard_jones_cluster_neb| 3D 38 Atom Lennard-Jones cluster - transition paths ]] | ||
| - | <!-- ===== Lecture 1 (tentative) ===== | + | |
| + | ===== Lecture 2 ===== | ||
| + | - [[pythonmd| 3D 38 Atom Lennard-Jones Molecular dynamics ]] | ||
| + | |||
| + | |||
| + | ===== Lecture 3 ===== | ||
| + | - [[MC and KMC| Monte Carlo simulations for the diffusion of " | ||
| + | - [[MC and KMC 2| Kinetic Monte Carlo simulations for the diffusion of Hexaiodobenzene molecules on noble metal substrates ]] | ||
| + | |||
| + | ===== 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]] | ||
| + | |||
| + | < | ||
| - [[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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| - [[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) ===== | + | |
| - | - [[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) ===== | ===== Lecture 4 (tentative) ===== | ||
| - [[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.1487928096.txt.gz · Last modified: 2020/08/21 10:15 (external edit)