User Tools

Site Tools


exercises:2014_uzh_molsim:index

Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revisionPrevious revision
Next revision
Previous revision
Last revisionBoth sides next revision
exercise:mm_uzh:index [2014/05/23 11:19] – [Week 3] talirzexercises:2014_uzh_molsim:index [2014/10/15 14:24] talirz
Line 1: Line 1:
 ====== Molecular Simulations ====== ====== Molecular Simulations ======
  
-The following exercises are part of the the course [[http://www.vorlesungen.uzh.ch/FS13/suche/sm-50018861.modveranst.html|Molecular simulations]] held at the University of Zurich during the spring semester 2014.+The following exercises are part of the the course [[http://www.vorlesungen.uzh.ch/FS13/suche/sm-50018861.modveranst.html|Molecular simulations]] held by [[http://www.pci.uzh.ch/iannuzzi/|Marcella Iannuzzi]] at the University of Zurich during the spring semester 2014.
  
 ===== Introduction ===== ===== Introduction =====
Line 7: Line 7:
 Getting familiar with the command line, Gnuplot and VMD. Getting familiar with the command line, Gnuplot and VMD.
  
-  - [[exercise:mm_uzh:bash_terminal|The bash terminal in MacOS X]] +  - [[bash_terminal|The bash terminal in MacOS X]] 
-  - [[exercise:mm_uzh:gnuplot|2d plotting with Gnuplot]] +  - [[gnuplot|2d plotting with Gnuplot]] 
-  - [[exercise:mm_uzh:vmd|3d visualization with VMD]] +  - [[vmd|3d visualization with VMD]] 
-  - [[exercise:mm_uzh:ssh|Working on remote computers with SSH (optional)]] +  - [[ssh|Working on remote computers with SSH (optional)]] 
-   + 
-|Required files | {{ :exercise:mm_uzh:intro.tar?direct&400 |}}|+|Required files | {{ intro.tar?direct&400 |}}|
  
 ===== Week 1 ===== ===== Week 1 =====
Line 18: Line 18:
 Ingredients of a force field and molecular dynamics in action. Ingredients of a force field and molecular dynamics in action.
  
-  - [[exercise:mm_uzh:h2o_ff|Constructing a force field for the $\text{H}_2\text{O}$ molecule]] +  - [[h2o_ff|Constructing a force field for the $\text{H}_2\text{O}$ molecule]] 
-  - [[exercise:mm_uzh:h2o_md|Molecular dynamics of liquid $\text{H}_2\text{O}$]]+  - [[h2o_md|Molecular dynamics of liquid $\text{H}_2\text{O}$]]
  
-|Required files | {{ :exercise:mm_uzh:week1.tar?direct&400 |}}|+|Required files | {{ week1.tar?direct&400 |}}|
  
 ===== Week 2 ===== ===== Week 2 =====
Line 27: Line 27:
 Sampling dynamical properties, dealing with surfaces of crystals and a glimpse of QM/MM. Sampling dynamical properties, dealing with surfaces of crystals and a glimpse of QM/MM.
  
-  - [[exercise:mm_uzh:h2o_diff|Diffusion constant, viscosity and size effects]] +  - [[h2o_diff|Diffusion constant, viscosity and size effects]] 
-  - [[exercise:mm_uzh:chp_cu111|QM/MM: Cyclohexaphenylene on Cu(111)]]+  - [[chp_cu111|QM/MM: Cyclohexaphenylene on Cu(111)]]
  
-|Required files | {{ :exercise:mm_uzh:week2.tar?direct&400 |}}|+|Required files | {{ week2.tar?direct&400 |}}|
  
 ===== Week 3 ===== ===== Week 3 =====
Line 36: Line 36:
 The 'chemical reaction' of $\text{NaCl}$ dissociating into $\text{Na}^+$ and $\text{Cl}^-$ in an aqueous environment and an example of a two-dimensional potential energy surface. The 'chemical reaction' of $\text{NaCl}$ dissociating into $\text{Na}^+$ and $\text{Cl}^-$ in an aqueous environment and an example of a two-dimensional potential energy surface.
  
-  - [[exercise:mm_uzh:nacl_md|Free and constrained molecular dynamics]] +  - [[nacl_md|Free and constrained molecular dynamics]] 
-  - [[exercise:mm_uzh:nacl_free_energy|Profiles of potential energy and free energy]] +  - [[nacl_free_energy|Profiles of potential energy and free energy]] 
-  - [[exercise:mm_uzh:alanine_dipeptide|Potential energy surface of Alanine dipeptide]]+  - [[alanine_dipeptide|Potential energy surface of Alanine dipeptide]]
  
-|Required files | {{ :exercise:mm_uzh:week3.tar?direct&400 |}}|+|Required files | {{ week3.tar?direct&400 |}}|
exercises/2014_uzh_molsim/index.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1