Editing Núria López and Group (section)

=Procedures=

* How to [[Mount_MareNostrum_folders]] in your local computers. (''by Qiang and Rodrigo'')  

* How to simulate [[XPS]]. (''by Nathan, Rodrigo, Javier, and Edvin'')

* How to simulate an [[EXAFS]]. (''by Edvin and Rodrigo'') 

* How to prepare a [[Microkinetic model]]. (''by Rodrigo, Albert, and Santiago'') 

* How to do a [[Kinetic Monte Carlo]] (KMC). (''by Albert'') 

* How to use the [[Bayesian Machine Scientist]] (BMS). (''by Sergio'') 

* How to do a [[Principal Component Analysis]] (PCA) in Python and Maple. (''by Jordi'') 

* How to find the lattice parameter with the [[Birch-Murnaghan fitting]] procedure (''by Franziska'')

* How to find the proper POTIM for a [[IBRION=3 bulk optimization]] (''by Federico'')

* How to construct a Surface from a Bulk with [[Materials Studio]]: [[Database bulk to surface builder | bulk-surface]]

* How to make easily a Nudged Elastic Band Method ([[NEB]]).

* How to 1. find the transition state using ''Improved Dimer Method'' (IDM) and 2. sample the path with ''Intrinsic Reaction Coordinate'' (IRC) [http://aliga.iciq.es/wiki/index.php/Image:2011-03-30-IDM-IRC.pdf [pdf]] [http://aliga.iciq.es/wiki/index.php/Image:2011-03-30-IDM-IRC.tgz [ppt]]

* How to do [[INCAR#Ab-Initio_Molecular_Dynamics|Born-Oppenheimer Molecular Dynamics in VASP]] (''by Rodrigo'')

* [[Managing large reaction networks]] (''by Rodrigo'')

* How to calculate the [[C6 parameters|''C''6 parameters]] for Metals fcc and hcp (''by Neyvis'')

* How to plot the [[molecular electrostatic potential]] (MEP) using VMD.

* How to make a [[Pourbaix diagram]], code attached (''by Yecheng'')

* How to calculate [[workfunctions]] (''by Nathan and Franziska'')

* [[Tips to work remotely from Windows]]  (''by Diego'')

* [[Command line rendering of chemical structures in Blender]] (by ''Albert'' and ''Edvin'')

* Sharing Latex projects on [[Overleaf]]  (by ''Franziska'')

* Using [[bibtex]] in Latex.

* How to write a [[reply to reviewers]].

* Selecting [[Colour codes]]

* [[Creating a booklet]]

* Painting excel cells according to their values [http://aliga.iciq.es/wiki/index.php/Image:Gerard.pdf]