Latest update: 29 November 2022

Winter School in Theoretical Chemistry 2022

This is the 36^th Winter School

QC-4C: Quantum Computers for Chemistry

Helsinki, 28 November - 1 December 2022

Lecturers

Nike Dattani, HPQC Labs, Waterloo, Canada

Lecture 1: Introduction to circuit-based quantum computing
Lecture 2: Introduction to Adiabatic Quantum Computing (AQC)
Lecture 3: Compiling quantum chemistry problems to run on AQC hardware
Lecture 4: Synergy between AQC and Quantum Chemistry / Equivalence between AQC and circuit-based quantum computing

Werner Dobrautz, Chalmers University of Technology, Sweden

Lecture 1: Quantum imaginary time evolution (QITE)
Lecture 2: Reducing necessary quantum hardware resources with explicitly correlated methods 1
Lecture 3: Reducing necessary quantum hardware resources with explicitly correlated methods 2

Åsa Hirvonen, University of Helsinki, Finland

Lecture 1: Qubits, tensors and measurement: why quantum computers don't do parallel computing
Lecture 2: Easy and hard problems: limitations also for quantum computers
Lecture 3: Error correction

Artur Izmaylov, University of Toronto, Canada

Lecture 1: Variational Quantum Eigensolver: State Preparation
Lecture 2: Variational Quantum Eigensolver: Measurement Problem
Lecture 3: Fault-tolerant Quantum Computing Approaches

Mikael Johansson, CSC - IT Center for Science, Finland

Lecture 1: Quantum computing for chemistry — a gentle introduction
Lecture 2: Quantum-coupled supercomputing for accelerating chemistry

Stefan Knecht, Algorithmiq, Finland

Lecture 1: Mapping the Hamiltonian from second-quantisation to qubit space
Lecture 2: Variational Quantum Eigensolver (VQE)
Lecture 3: Orbital-Optimized VQE

Sabrina Maniscalco, University of Helsinki, Finland

Lectures 1-2: Hybrid algorithms for quantum chemistry simulations with quantum computers, some major challenges

Mikko Möttönen, Aalto University, Finland

Lectures 1-2: Introduction to quantum computers and superconducting qubits
Lecture 3: Rigorous quantization of electric circuits and superconducting qubits

Contributed Talks

Susane Calegari: Contextuality and memory cost of simulation of Majorana fermions
Davide Castaldo: Energy derivatives with a fully differentiable Quantum Phase Estimation algorithm
Seenivasan Hariharan: Simulating Water-Oxide Interactions using Quantum Algorithms

Registration

Registration is closed and the School is full.

Programme

The School will commence on Monday, 28 November at 9:00.

Please arrive on time.

Monday 28 November

9:00	Welcome
9:15	Johansson 1	Quantum computing for chemistry — a gentle introduction
10:00	Dattani 1	Introduction to circuit-based quantum computing
10:45	Break
11:00	Dattani 2	Introduction to Adiabatic Quantum Computing (AQC)
11:45	Lunch
14:00	Dattani 3	Compiling quantum chemistry problems to run on AQC hardware
14:45	Izmaylov 1	Variational Quantum Eigensolver: State Preparation
15:30	Break
15:45	Izmaylov 2	Variational Quantum Eigensolver: Measurement Problem
16:30	Dattani 4	Synergy between AQC and Quantum Chemistry / Equivalence between AQC and circuit-based quantum computing
17:15	Poster Session

Tuesday 29 November

9:15	Möttönen 1	Introduction to quantum computers and superconducting qubits 1
10:00	Möttönen 2	Introduction to quantum computers and superconducting qubits 2
10:45	Break
11:00	Hirvonen 1	Qubits, tensors and measurement: why quantum computers don't do parallel computing
11:45	Lunch
13:00	Hirvonen 2	Easy and hard problems: limitations also for quantum computers
13:45	Möttönen 3	Rigorous quantization of electric circuits and superconducting qubits
14:30	Break
14:45	Dobrautz 1	Quantum imaginary time evolution (QITE)
15:30	Calegari	Contextuality and memory cost of simulation of Majorana fermions
16:00	Castaldo	Energy derivatives with a fully differentiable Quantum Phase Estimation algorithm
16:30	Hariharan	Simulating Water-Oxide Interactions using Quantum Algorithms
17:00	End of Day

Wednesday 30 November

9:15	Knecht 1	Mapping the Hamiltonian from second-quantisation to qubit space
10:00	Izmaylov 3	Fault-tolerant Quantum Computing Approaches
10:45	Break
11:00	Maniscalco 1	Hybrid algorithms for chemistry with quantum computers, some major challenges 1
11:45	Maniscalco 2	Hybrid algorithms for chemistry with quantum computers, some major challenges 2
12:30	Lunch and free afternoon

Thursday 1 December

9:15	Hirvonen 3	Error correction
10:00	Knecht 2	Variational Quantum Eigensolver (VQE)
10:45	Break
11:00	Johansson 2	Quantum-coupled supercomputing for accelerating chemistry
11:45	Lunch
13:00	Dobrautz 2	Reducing necessary quantum hardware resources with explicitly correlated methods 1
13:45	Dobrautz 3	Reducing necessary quantum hardware resources with explicitly correlated methods 2
14:30	Knecht 3	Orbital-Optimized VQE
15:15	Poster Prize and Closing Words
15:30	Departure and Goodbyes

Further Information

Place:

University of Helsinki, Kumpula campus

Most lectures are in the Chemicum building (Department of Chemistry), lecture hall A110. Exception: Lectures after lunch on Monday (from 14:00) are in Exactum lecture hall B123 (Linus Torvalds Auditorium).

The poster session will take place in the Chemicum lobby (just outside A110).

Address:
Department of Chemistry
P.O. Box 55 (A.I. Virtasen aukio 1)
FI-00014 University of Helsinki
Finland

How to find the campus:

See Chemicum and Kumpula on Google Maps

Posters:

A poster session will be held on Monday evening. The posters are browsable throughout the duration of the School.
The size of the posters is A0 (portrait, 841 x 1189 mm (width x height)).

A poster prize will be handed out at the end of the School. The prize is supported by IQM Quantum Computers

Abstracts:

Download the Book of Abstracts

Lecture notes:

Notes are being added to this folder. More might be added within time.

Credits:

Students who wish to have credits for the course, should write an essay on one of the School topics, and return it before 1 Feb 2023. Send a PDF of your essay to winterschool@chem.helsinki.fi. The course is valued at 3 ECTS.

The essay topics are:

Principles of adiabatic quantum computing
Variational quantum eigensolvers
Quantum algorithms for quantum chemistry
Quantum algorithms for chemistry (other than quantum chemistry)
Quantum imaginary time evolution approaches
Mapping electronic interaction operators to qubits
Combining supercomputers with quantum computers
Advanced quantum chemistry approaches with quantum computers
Quantum computers and the basis-set problem
Title of your own choice (which is related to the theme of the school)

The length of the essay is about 3 A4 pages when pictures are not counted. Send the essay in pdf format to winterschool@chem.helsinki.fi

Fees:

The School is free of charge for academic staff and students

Accommodation:

Participants should make their own accommodation arrangements.

List of Hotels in Helsinki

Organisers:

This year's School is co-organised by the Department of Chemistry, University of Helsinki, and CSC - IT Center for Science.

The organising committee consists of

Dage Sundholm, University of Helsinki
Mikael Johansson, CSC - IT Center for Science
Susi Lehtola, University of Helsinki

Questions:

General questions concerning the School can be addressed to winterschool@chem.helsinki.fi or members of the organising committee.

Practical notes:

Some things to consider.

Arriving at the airport, you can take the public bus 600 or the train connection between the airport and the central railway station with ringrail trains I and P (you need an ABC zone ticket from a vending machine).
The Journey Planner for public transport, and Google Maps might be helpful. Wikipedia knows about public transport in Helsinki as well.
A taxi from the airport to the Kumpula campus (A.I. Virtasen Aukio 1) or the city centre should be around 40–50 €. Note: Taxi prices are unregulated, so a ride can in principle cost anything. Best to ask the driver beforehand. This applies to all taxi rides, not only from/to the airport.
Look at the latest weather reports before travelling as temperatures might drop below the freezing point for the Winter School week.

Eat and drink:

Lunch is available in the various canteens of the Kumpula campus.

For the evenings, we have collected a list of places suitable for slightly larger groups. The ones in italics are also good for just a drink or three. There's also a more complete restaurant map.