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exercises:2018_ethz_mmm:index [2018/03/08 08:18] – dpasseroneexercises:2018_ethz_mmm:index [2020/08/21 10:15] (current) – external edit 127.0.0.1
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 ===== Lecture 3 ===== ===== Lecture 3 =====
   - [[MC2018| Monte Carlo simulations for the estimation of pair interactions ]]   - [[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]] <!--  - [[alanine_dipeptide_2018|Alanine dipeptide: Ramachandran plot]]
 -->    -->   
exercises/2018_ethz_mmm/index.1520497118.txt.gz · Last modified: 2020/08/21 10:15 (external edit)