Quantum information and algorithms for correlated quantum matter
Discoveries in quantum materials, which are characterized by the strongly quantum-
mechanical nature of electrons and atoms, have revealed exotic properties that arise from …
mechanical nature of electrons and atoms, have revealed exotic properties that arise from …
Quantum-centric supercomputing for materials science: A perspective on challenges and future directions
Computational models are an essential tool for the design, characterization, and discovery
of novel materials. Computationally hard tasks in materials science stretch the limits of …
of novel materials. Computationally hard tasks in materials science stretch the limits of …
Molecular modelling of the thermophysical properties of fluids: Expectations, limitations, gaps and opportunities
MJ Tillotson, NI Diamantonis, C Buda… - Physical Chemistry …, 2023 - pubs.rsc.org
This manuscript provides an overview of the current state of the art in terms of the molecular
modelling of the thermophysical properties of fluids. It is intended to manage the …
modelling of the thermophysical properties of fluids. It is intended to manage the …
Optimizing electronic structure simulations on a trapped-ion quantum computer using problem decomposition
Quantum computers have the potential to advance material design and drug discovery by
performing costly electronic structure calculations. A critical aspect of this application …
performing costly electronic structure calculations. A critical aspect of this application …
Perspectives of quantum computing for chemical engineering
Quantum computing has been attracting public attention recently. This interest is driven by
the advancements in hardware, software, and algorithms required for its successful usage …
the advancements in hardware, software, and algorithms required for its successful usage …
Quantum computing and materials science: A practical guide to applying quantum annealing to the configurational analysis of materials
Using quantum computers for computational chemistry and materials science will enable us
to tackle problems that are intractable on classical computers. In this paper, we show how …
to tackle problems that are intractable on classical computers. In this paper, we show how …
Classification of hybrid quantum-classical computing
F Phillipson, N Neumann, R Wezeman - International Conference on …, 2023 - Springer
As quantum computers mature, the applicability in practice becomes more important.
Quantum computers will often be used in a hybrid setting, where classical computers still …
Quantum computers will often be used in a hybrid setting, where classical computers still …
Why consider quantum instead classical pattern recognition techniques?
This article delves into the evolving landscape of pattern recognition, transitioning from
classical methodologies to quantum-based techniques. It underscores how quantum …
classical methodologies to quantum-based techniques. It underscores how quantum …
Efficient and accurate electronic structure simulation demonstrated on a trapped-ion quantum computer
Quantum computers have the potential to perform accurate and efficient electronic structure
calculations, enabling the simulation of properties of materials. However, today's noisy …
calculations, enabling the simulation of properties of materials. However, today's noisy …
Morse potential on a quantum computer for molecules and supersymmetric quantum mechanics
J Apanavicius, Y Feng, Y Flores, M Hassan… - arXiv preprint arXiv …, 2021 - arxiv.org
In this paper we discuss the Morse potential on a quantum computer. The Morse potential is
useful to describe diatomic molecules and has a finite number of bound states which can be …
useful to describe diatomic molecules and has a finite number of bound states which can be …