exercises:common
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| - | ====== Exercises ====== | ||
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| - | The following exercises are maintained by Jinggang Lan (jinggang.lan@epfl.ch). | ||
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| - | * [[code_structure| Code Structure]] | ||
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| - | ==== Stationary Point Optimization ==== | ||
| - | * [[geo_opt| Geometry Optimization]] | ||
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| - | * [[neb| Transition State Optimization via Nudged Elastic Band (NEB) Method]] | ||
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| - | ==== Calculations of Properties ==== | ||
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| - | * [[pdos| Density of States]] | ||
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| - | * [[wf| Workfunction]] | ||
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| - | * [[chg| Charge Density Difference]] | ||
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| - | * [[vib| Vibrational Analysis]] | ||
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| - | ==== Molecular Dynamics ==== | ||
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| - | * [[ensemble| Ensembles]] | ||
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| - | * [[aimd| Ab-initio Molecular Dynamics]] | ||
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| - | * [[sgcp| Second Generation Car-Parrinello Molecular Dynamics]] | ||
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| - | * [[pimd| Path-Integral Molecular Dynamics]] | ||
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| - | * [[i-pi| Run CP2K with I-PI]] | ||
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| - | * [[blue_moon| Blue Moon Ensemble]] | ||
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| - | * [[mtd| Meta-dynamics]] | ||
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| - | ==== Electronic Structure ==== | ||
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| - | * [[gga| GGA and Meta-GGA]] | ||
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| - | * [[hfx| Hybrid Functional]] | ||
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| - | * [[vdw| van der Waals]] | ||
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| - | * [[wf| Wavefunction based Methods]] | ||
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| - | ==== Machine Learning ==== | ||
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| - | * [[mlp| Machine Learning]] | ||
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exercises/common.1662640901.txt.gz · Last modified: by jglan
