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Week - 1 |
Introduction to atomistic modelling |
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Week - 2 |
Introduction to linux based operation systems |
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Week - 3 |
Linux, concepts, syntax and basic operations |
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Week - 4 |
Molecular structures and crystal phases |
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Week - 5 |
mid-term exam |
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Week - 6 |
Atomistical visualization programs |
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Week - 7 |
Atomistic simulation techniques 1 |
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Week - 8 |
Atomistic simulation techniques 2 |
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Week - 9 |
Energetical minimization examples with interatomic potentials: molecular structures and crystal phases; |
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Week - 10 |
mid-term exam |
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Week - 11 |
Energetical minimization examples with quantum mechanics: molecular structures and crystal phases |
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Week - 12 |
Examples of global optimization |
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Week - 13 |
Examples of molecular dynamics simulations |
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Week - 14 |
final exam |