CHEM-E4115 - Computational Chemistry I, 07.01.2019-21.02.2019

Topic outline

• Computer class exercises
  The course contains 5+5 computer class exercises. The computer class exercises contribute toward the grade of the course but being present in the computer class exercises is not required for the computer class exercise points (the exercises can be completed independently). Getting the computer class exercise points requires handing in the requested information in the appropriate folder below, as well as, a self-evaluation of whether the exercise was completed in part or mostly.

  
  

  • Select activity Introduction slide for cluster computer access from the first exercise

    

    Introduction slide for cluster computer access from the first exercise File PDF
  • Select activity Instructions for using the Wihuri computing cluster

    

    Instructions for using the Wihuri computing cluster URL
  • Select activity A linux command reference sheet

    

    A linux command reference sheet URL
  • Select activity Putty, Xming and WinSCP instructions for the exercises

    

    Putty, Xming and WinSCP instructions for the exercises File PDF
  • Select activity Connecting to Wihuri from outside Aalto without VPN

    

    Connecting to Wihuri from outside Aalto without VPN File PDF
  • Select activity Self-assessment of performance in the computer class exercises

    

    Self-assessment of performance in the computer class exercises Quiz

    Mark here your self-evaluation of each of the computer exercises. The max 20 computer exercise points come from these self-evaluations that are checked against the files that are requested for each exercise.
    

    Please note that you can fill in your self-evaluation as many times as you want and the form will remember the "saved" choices and your already accumulated points. That means, you should 1) fill the form after each exercise for that exercise and 2) press "next" at the bottom of the page after which you get access to 3) "submit all and finish" which saves the points in the MyCourses system. When submitting (saving) your answers, MyCourses will warn that you cannot change your answers after submitting but the self-evaluation quizz is set so that you can do it as many times as you want. Each time you click on the self-evaluation, your already made selections are visible and you can continue by adding just the new points but you can also freely change the already submitted exercise points for any of the exercises. Your points will be the points of your last submit before the deadline on Monday 25th February, 2019.
    

    Please note that getting the points for the exercises requires also handing in the requested files for each computer class exercise.
    

    
    

  • Select activity Quantum chemistry: files for getting the computer class exercise points

    

    Quantum chemistry: files for getting the computer class exercise points Assignment
  • Select activity Molecular modelling: files for getting the computer class exercise points

    

    Molecular modelling: files for getting the computer class exercise points Assignment