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exercises:2018_ethz_mmm:index [2018/02/22 17:20] dpasseroneexercises: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]]
-  - [[alanine_dipeptide_2018|Alanine dipeptide: Ramachandran plot]] + 
-   + 
 +===== Lecture 2 ===== 
 +  - [[H2O_MD| Molecular dynamics of water ]] 
 + 
 + 
 +===== 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 ]] 
 + 
 +===== Lecture 6 ===== 
 +  - [[Adsorption_2018| Adsoprtion of acetylene on PdGa  ]] 
 + 
 + 
 +===== 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  ]] 
 + 
 + 
 +<!--  - [[alanine_dipeptide_2018|Alanine dipeptide: Ramachandran plot]] 
 +-->   
  
 ===== note on the Quantum Mobile ===== ===== note on the Quantum Mobile =====
exercises/2018_ethz_mmm/index.1519320028.txt.gz · Last modified: 2020/08/21 10:15 (external edit)