CHEM-E4115 - Computational Chemistry I D, Lecture, 27.2.2023-5.5.2023

Topic outline

• Assignments
  When returning assignments for grading, please include a cover page that contains the following:

  • Course code and name (CHEM-E4115 - Computational Chemistry I)

  • Assignment number and title or topic

  • Your name and email address

  • Your student number

  • the date of handing in the assignment

  • Select activity Computer use instructions folder

    

    Computer use instructions folder

    This link: Instructions for mylly2.pub.chemistrylab.aalto.fi computer cluster.
    

    This link: Unix/Linux Command Reference (Linux cheat sheet)
    

  • Select activity Self-assessment of performance in the computer class exercises

    

    Self-assessment of performance in the computer class exercises Quiz
  • Select activity Quantum Chemistry Essay

    

    Quantum Chemistry Essay Assignment
  • Select activity Quantum Chemistry assignments

    

    Quantum Chemistry assignments
  • Select activity Molecular Modelling Essay

    

    Molecular Modelling Essay Assignment
  • Select activity Molecular modelling: Molecular Dynamics assignment

    

    Molecular modelling: Molecular Dynamics assignment
  • Select activity Monte Carlo assignment

    

    Monte Carlo assignment
  • Select activity Extended 2.5 cr molecular modelling assignment (block-co-polymers in different solvents)

    

    Extended 2.5 cr molecular modelling assignment (block-co-polymers in different solvents)
  • Select activity Exercise output files for the molecular modelling part of the course

    

    Exercise output files for the molecular modelling part of the course Assignment