exercises:common:index
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| exercises:common:index [2022/09/08 12:50] – [Machine Learning] jglan | exercises:common:index [2024/02/22 11:47] (current) – [Molecular Dynamics] fnunes | ||
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| ====== Exercises ====== | ====== Exercises ====== | ||
| - | The following exercises are maintained by Jinggang Lan (jinggang.lan@epfl.ch). | + | The following exercises are maintained by [[https:// |
| * [[code_structure| Code Structure]] | * [[code_structure| Code Structure]] | ||
| + | |||
| + | * [[useful_tools | Useful Tools ]] | ||
| + | * [[reading_list | Reading Lists]] | ||
| ==== Stationary Point Optimization ==== | ==== Stationary Point Optimization ==== | ||
| Line 11: | Line 14: | ||
| * [[neb| Transition State Optimization via Nudged Elastic Band (NEB) Method]] | * [[neb| Transition State Optimization via Nudged Elastic Band (NEB) Method]] | ||
| + | * [[eos| Equation of States (EOS)]] | ||
| ==== Calculations of Properties ==== | ==== Calculations of Properties ==== | ||
| * [[pdos| Density of States]] | * [[pdos| Density of States]] | ||
| + | |||
| + | * [[bs | Band Structure]] | ||
| * [[wf| Workfunction]] | * [[wf| Workfunction]] | ||
| Line 24: | Line 30: | ||
| ==== Molecular Dynamics ==== | ==== Molecular Dynamics ==== | ||
| - | * [[ensemble| Ensembles]] | + | * [[ensemble| Ensembles |
| * [[aimd| Ab-initio Molecular Dynamics]] | * [[aimd| Ab-initio Molecular Dynamics]] | ||
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| * [[blue_moon| Blue Moon Ensemble]] | * [[blue_moon| Blue Moon Ensemble]] | ||
| - | * [[mtd| | + | * [[mtd| |
| ==== Electronic Structure ==== | ==== Electronic Structure ==== | ||
| - | * [[gga| GGA and Meta-GGA]] | + | * [[gga| GGA, Meta-GGA |
| * [[hfx| Hybrid Functional]] | * [[hfx| Hybrid Functional]] | ||
| Line 46: | Line 52: | ||
| * [[vdw| van der Waals]] | * [[vdw| van der Waals]] | ||
| - | * [[wf| Wavefunction based Methods]] | + | * [[wavefun| Wavefunction based Methods]] |
| + | |||
| + | ==== Properties ==== | ||
| + | |||
| + | |||
| + | * [[tddft| Time-dependent Density Functional Theory]] | ||
| + | |||
| + | * [[lr-tddft | XAS from Linear-response TDDFT]] | ||
| + | |||
| + | * [[vdos | Velocity Density of States from AIMD]] | ||
| ==== Machine Learning ==== | ==== Machine Learning ==== | ||
exercises/common/index.1662641406.txt.gz · Last modified: 2022/09/08 12:50 by jglan