User Tools

Site Tools


exercises:2018_ethz_mmm:index

Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revisionPrevious revision
Next revision
Previous revision
exercises:2018_ethz_mmm:index [2018/02/22 14:27] dpasseroneexercises:2018_ethz_mmm:index [2020/08/21 10:15] (current) – external edit 127.0.0.1
Line 6: Line 6:
   - [[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 =====
 +
 +Remember that the Quantum Mobile VM is a Linux environment. As such, copy/paste operations are sometimes application-dependent. 
 +
 +<note tip>  
 +  * In a browser or other graphical programs: use CTRL+C/CTRL+V
 +  * In a terminal: use SHIFT+CTRL+C/SHIFT+CTRL+V
 +</note>
  
 ===== m_ bash functions ===== ===== m_ bash functions =====
exercises/2018_ethz_mmm/index.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1