Day 3 - Wednesday, November 5th

Learning Track: Intermediate - Variational algorithms, Molecules, VQE use cases

Variational Algorithms; Designing use cases for near term quantum algorithms

Speaker: Panagiotis Barkoutsos (IonQ)
Time: 09:00-10:00

Key topics: how to design a use case for a near term quantum algorithms, how one can exploit the currently available quantum hardware to the maximum, examples of use cases in chemistry and protein folding

Excursion session: Controlling a quantum computer using pulses

Speaker: Stefan Seegerer (IQM)
Time: 10:00-10:40

Leave the gate model behind and dive into the microwave layer where quantum logic is born. Through interactive demos you’ll be gaining an intuitive feel for how precise analog signals steer digital-era quantum computation.

📓 Download Notebooks for Hands-on Exercises:

🚀 Run Notebooks in the Cloud (No Installation Required):

Binder

Coffee break

Time: 10:40-11:00

LUMI-Q/VLQ presentation

Speaker: Miroslav Dobsicek Time: 11:00-11:30

Overview on LUMI-Q consortium and EuroHPC-JU VLQ quantum device overview

Longer Lunch

Time: 11:30-13:00

How to use quantum computers for biomolecular free energies

Speaker: Matthias Christandl (København U, DK) Time: 13:00-14:00

📊 Slides: FreeQuantum.pdf

Free energy calculations are at the heart of physics-based analyses of biochemical processes. They allow us to quantify molecular recognition mechanisms, which determine a wide range of biological phenomena from how cells send and receive signals to how pharmaceutical compounds can be used to treat diseases. Quantitative and predictive free energy calculations require computational models that accurately capture both the varied and intricate electronic interactions between molecules as well as the entropic contributions from motions of these molecules and their aqueous environment. However, accurate quantum-mechanical energies and forces can only be obtained for small atomistic models, not for large biomacromolecules. Here, we demonstrate how to consistently link accurate quantum-mechanical data obtained for substructures to the overall potential energy of biomolecular complexes by machine learning in an integrated algorithm. We do so using a two-fold quantum embedding strategy where the innermost quantum cores are treated at a very high level of accuracy. We demonstrate the viability of this approach for the molecular recognition of a ruthenium-based anticancer drug by its protein target, applying traditional quantum chemical methods. As such methods scale unfavorable with system size, we analyze requirements for quantum computers to provide highly accurate energies that impact the resulting free energies. Once the requirements are met, our computational pipeline FreeQuantum is able to make efficient use of the quantum computed energies, thereby enabling quantum computing enhanced modeling of biochemical processes. This approach combines the exponential speedups of quantum computers for simulating interacting electrons with modern classical simulation techniques that incorporate machine learning to model large molecules.

Pre-panel discussion

Moderator: Göran Wendin (RISE, SE) Time: 14:00-14:30

📊 Slides: GW_Panel_251104.pdf

Let’s spark topics then continue talking about during the following coffee break!

Coffee break

Time: 14:30-15:00

Towards 2045: Do we still only talk about Quantum superiority?

Moderator: Göran Wendin (RISE, SE) Time: 15:00-16:00

The panel discussion

PechaKucha presentations

Time: 16:00-17:30

To balance all that brainwork with some light-hearted fun, we warmly invite you to the Social PechaKucha Evening!

What is PechaKucha?

Let’s unwind together, share stories, and get to know each other beyond the school. Whether it’s a hobby, a fun interest, a personal journey, or even your research—PechaKucha is the perfect format to present it!

Format:

  • Maximum 5 minutes per presenter

  • Traditionally: 20 slides, 20 seconds each (but flexible)

  • Visual storytelling: Focus on images and stories, minimal or no bullet points

  • Topics: Anything you’re passionate about—hobbies, interests, personal journeys, or your research

Learn More:

We’re looking forward to seeing your PechaKuchas!

Buffé dinner

Time: 18:00-20:00

Special dinner event for all participants and instructors.