exercises:2018_ethz_mmm:index
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- [[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) ]] | - [[KMC2018| Kinetic Monte Carlo simulations for the diffusion of molecules @Ag(111) ]] | ||
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+ | ===== 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 ]] | ||
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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 ]] | ||
exercises/2018_ethz_mmm/index.1520497215.txt.gz · Last modified: 2020/08/21 10:15 (external edit)