exercises:2018_ethz_mmm:index
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| exercises:2018_ethz_mmm:index [2018/02/23 04:37] – [Lecture 1] dpasserone | exercises:2018_ethz_mmm:index [2020/08/21 10:15] (current) – external edit 127.0.0.1 | ||
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| - [[lennard_jones_cluster_2018| 3D 38 Atom Lennard-Jones cluster - optimization ]] | - [[lennard_jones_cluster_2018| 3D 38 Atom Lennard-Jones cluster - optimization ]] | ||
| - [[c2h2_bond_energy_2018|Bond Strength in a molecule]] | - [[c2h2_bond_energy_2018|Bond Strength in a molecule]] | ||
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| + | ===== Lecture 2 ===== | ||
| + | - [[H2O_MD| Molecular dynamics of water ]] | ||
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| + | ===== Lecture 3 ===== | ||
| + | - [[MC2018| Monte Carlo simulations for the estimation of pair interactions ]] | ||
| + | - [[KMC2018| Kinetic Monte Carlo simulations for the diffusion of molecules @Ag(111) ]] | ||
| + | |||
| + | ===== Lecture 4 ===== | ||
| + | - [[BF3| BF3 Hartree Fock calculation and orbitals ]] | ||
| + | |||
| + | ===== Lecture 5 ===== | ||
| + | - [[Ethanol_2018| Dehydration of ethanol ]] | ||
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| + | ===== Lecture 6 ===== | ||
| + | - [[Adsorption_2018| Adsoprtion of acetylene on PdGa ]] | ||
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| + | |||
| + | ===== Lecture 7 ===== | ||
| + | - [[Infrared_2018| Infrared spectroscopy with cp2k ]] | ||
| + | |||
| + | ===== Lecture 8 ===== | ||
| + | - [[Bands_I_2018| Crystallographic point groups, free electron model ]] | ||
| + | |||
| + | ===== Lecture 9 ===== | ||
| + | - [[Bands_II_2018| Bandstructure calculations | ||
| + | |||
| + | ===== Lecture 10 ===== | ||
| + | - [[STM_2018| STM and AFM simulations | ||
| + | |||
| + | ===== Lecture 11 ===== | ||
| + | - [[RE_2018| Replica Exchange molecular dynamics | ||
| + | - [[QMMM_2018| QM/MM for a slab ]] | ||
| + | |||
| + | ===== Lecture 12 ===== | ||
| + | - [[PMF| Potential of mean force ]] | ||
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exercises/2018_ethz_mmm/index.1519360645.txt.gz · Last modified: (external edit)
