Quantum Computing for Natural Sciences: Technology and Applications 2025 Agenda

Abstract: With the rapid development of quantum computers, researchers have shown quantum advantages in physics-oriented problems. Quantum algorithms tackling computational biology problems are still lacking. In this project, we demonstrate the quantum advantage in analyzing CITE-seq data. CITE-seq, a single-cell technology, enables researchers to simultaneously measure expressions of RNA and surface protein.

Abstract: TBC

Abstract: In this talk, I will discuss a quantum diagonalization method based on subspaces obtained from quantum computers, which overcomes the scaling limitations of previous algorithms for quantum chemistry. For the first time, we break the barrier of simulating molecules that go beyond what we can solve with exact diagonalization, with quantum data. We perform realistic chemistry computations of up to 77 qubits on a quantum centric supercomputing architecture, using a Heron quantum processor and the supercomputer Fugaku. I will comment on the significance of these results and on the path forward on use cases for quantum and classical HPC architectures.

Lunch break

Abstract: Quantum computing has emerged as a transformative paradigm, offering the potential to tackle problems that are intractable for classical computers due to unfavorable scaling. Among its most promising application areas is quantum chemistry, which stands to benefit significantly from quantum computational advancements. However, progress is currently hindered by a fundamental challenge, namely balancing the limited capabilities of today’s noisy quantum hardware with the performance guarantees required by existing algorithms.

Abstract: The talk will begin by introducing the Open Quantum Institute (OQI), who we are, what our mission is, how we plan to bring it forward, and what space we occupy in the quantum eco-system. It will then delve into our use case applications for tackling real-world problems, specifically aimed at the UN’s Sustainable Development Goals (SDGs), which are vetted by UN agencies. As OQI aims to bring forward a balanced portfolio of applications, the talk will present use-cases tackling a variety of problems, with different methodologies, from simulation, to quantum machine learning, leaning on different hardware providers.

Abstract: TBC

Abstract: TBC

Abstract: We present a hybrid classical-quantum computational pipeline for the determination of adsorption energies of a benzotriazole molecule on an aluminum alloy surface relevant for the transport industry, in particular to address the corrosion problem. The molecular adsorbate and substrate alloy were selected by interrogating molecular and materials databases, in search for desired criteria. The protocol can be generalized to other surfaces with arbitrary orientation and chemical composition, as well as to other molecular
adsorbates. It includes three main steps based on mean-field electronic structure calculations, embedding theories and quantum algorithms. The quantum computing step demonstrated here with the variational quantum eigensolver is amenable to any other reliable quantum algorithm for ground-state energy estimation. Excited- state energies can also be taken into account in the quantum computing step, if the target reaction involves excited states.

Abstract: Mapping fermionic systems to qubits on a quantum computer is often the first step for algorithms in quantum chemistry and condensed matter physics. However, it is difficult to reconcile the many different approaches that have been proposed, such as those based on binary matrices, ternary trees, and stabilizer codes. This challenge is further exacerbated by the many ways to describe them — transformation of Majorana operators, action on Fock states, encoder circuits, and stabilizers of local encodings — making it challenging to know when the mappings are equivalent. In this work, we present a graphical framework for fermion-to-qubit mappings that streamlines and unifies various representations through the ZX-calculus.