Subject: Subject Sylbus: Computational Quantum Chemistry Lab - 127449

Computational Quantum Chemistry Lab - 127449
Will not be given the year
Credit
Points
2.0
 
  Lecture Exercise Laboratory Project or
Seminar
House
Work
Weekly
Hours
    5    

Determination of the grade according to progress during the semester.


Prerequisites: Introduction to Quantum Information Processing 236990
or Quantum Information Theory 116031


Commonly Practiced Computational Methods in Quantum Chemistry on Classical Computers. Wave Function Based (Hartre Fock, Ci, Coupled Clusters) and Density Functional Based (Dft Tddft) Approaches and Their Application in Energy and Geometry Calculations of Stable Molecular Confirmations, Transition States and Reaction Coordinates, and Ir and Nmr Spectra. Quantum Simulators and Applications of Quantum Computers to Quantum Chemistry.

Learning Outcomes
At the End of the Course the Student Will Be Acquainted with Different Approaches to Quantum Chemical Calculations, Will Know to Select the Appropriate Method for a Given Problem, and Will Know to Apply It to Using Commonly Available Computer Codes. the Student Will Be Acquainted with Applications of Quantum Computers to the Solution of Quantum Chemical Problems.


Created in 08/03/2021 Time 12:39:04