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Quantum Computing and Chemistry

ECTS credits:


Course parameters:

Language: English

Level of course: PhD course

Time of year: Spring 2022

No. of contact hours/hours in total incl. preparation, assignment(s) or the like: 30 (10*3 hours) / 75 (total, including reading material and preparing presentation)

Capacity limits: 15 participants

Objectives of the course:

This graduate course is for PhD students who are not (yet) quantum computing specialists and other researchers who wish to develop an understanding of ideas, methods, opportunities and challenges of quantum computing. The course provides the student with an introduction to the basics of quantum computing, including qubits, gates, algorithms.

Learning outcomes and competences:

At the end of the course, the student:

- knows about qubits and gates essential for quantum computers

- knows about some key quantum algorithms

- knows about current main implementations and challenges

Compulsory programme:

Participation in all course components, including lectures, theoretical, and computer exercises.

Course contents:

Below is a rough outline of the course, subject to changes until course start.

Introduction to quantum bits and quantum gates – Hilbert space, operators etc.

Discussion of relevant hardware platforms, advantages and disadvantages.

Algorithms for quantum computers – search algorithm and pattern finding.

Near-term hybrid quantum algorithms for noisy quantum computers.

Selected applications of quantum simulation and quantum computing.

2*3 hours per week for 5 weeks.


Bachelor degree or similar within natural science, with a strong quantum mechanical course background.

Name of course responsibles:

Stig Elkjær Rasmussen

Nikolaj Zinner

Ove Christiansen

Type of course/teaching methods:

Lectures, experimental exercises, computer exercises


Quantum Computation and Quantum Information, Michael A. Nielsen and I.L. Chuang.

Additional articles and reviews will be circulated during class such as:

S.E. Rasmussen et al. PRX Quantum 2, 040204 (2021). S.E. Rasmussen et al. PRX Quantum 2, 040204 (2021), A Quantum Computing View on Unitary Coupled Cluster Theory, Anand …. Aspuru-Guzik (2021-22). https://www.semanticscholar.org/paper/A-Quantum-Computing-View-on-Unitary-Coupled-Cluster-Anand-Schleich/8dda3d6b43be2ab4d6be2b04eac5e119dbb1a2de 


Course homepage:

None at this moment.

To sign up for the course, please send an e-mail to Ove Christiansen, ove@chem.au.dk no later than 30 March 2022.

Information regarding admission will be sent out no later than 1 April 2022.

Course assessment:

Active participation, in particular presentation of assigned chapters/articles.


Departments of Chemistry and Physics, Aarhus University

Special comments on this course:



4 April - 1 June 2022

23900 / i43