Quantum computing and quantum artificial intelligence for renewable and sustainable energy: A emerging prospect towards climate neutrality

A Ajagekar, F You - Renewable and Sustainable Energy Reviews, 2022 - Elsevier
Transitioning from fossil fuels to renewable sources and developing sustainable energy
materials for energy production and storage are critical factors in achieving climate …

[HTML][HTML] Impact of quantum and neuromorphic computing on biomolecular simulations: Current status and perspectives

S Diaz-Pier, P Carloni - Current Opinion in Structural Biology, 2024 - Elsevier
New high-performance computing architectures are becoming operative, in addition to
exascale computers. Quantum computers (QC) solve optimization problems with …

Zn, O Co-adsorption based on MOF-5 for efficient capture of radioactive iodine

RL Yu, QF Li, T Zhang, ZL Li, LZ Xia - Process Safety and Environmental …, 2023 - Elsevier
The harmful effects of iodine in nuclear waste gas on humans and the environment, as well
as the high kinetic energy of iodine molecules caused by the high-temperature environment …

Hybrid classical-quantum optimization techniques for solving mixed-integer programming problems in production scheduling

A Ajagekar, K Al Hamoud, F You - IEEE Transactions on …, 2022 - ieeexplore.ieee.org
Quantum computing (QC) holds great promise to open up a new era of computing and has
been receiving significant attention recently. To overcome the performance limitations of …

[HTML][HTML] Silica aerogel-carbon nanotube composites: Mechanistic insights into condensation reactions

P Maximiano, PN Simões - Chemical Engineering Journal, 2024 - Elsevier
The mechanisms and energetics of condensation reactions between carboxyl or hydroxyl
groups of oxidized carbon nanotubes and silanol groups of a silica aerogel were unveiled in …

[HTML][HTML] Hybrid quantum-classical multi-cut benders approach with a power system application

NG Paterakis - Computers & Chemical Engineering, 2023 - Elsevier
Leveraging the current generation of quantum devices to solve optimization problems of
practical interest necessitates the development of hybrid quantum-classical (HQC) solution …

Designing microplastic-binding peptides with a variational quantum circuit–based hybrid quantum-classical approach

RC Vendrell, A Ajagekar, MT Bergman, CK Hall… - Science …, 2024 - science.org
De novo peptide design exhibits great potential in materials engineering, particularly for the
use of plastic-binding peptides to help remediate microplastic pollution. There are no known …

Quantum computing and materials science: A practical guide to applying quantum annealing to the configurational analysis of materials

B Camino, J Buckeridge, PA Warburton… - Journal of Applied …, 2023 - pubs.aip.org
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 …

Qubo. jl: A julia ecosystem for quadratic unconstrained binary optimization

PM Xavier, P Ripper, T Andrade, JD Garcia… - arXiv preprint arXiv …, 2023 - arxiv.org
We present QUBO. jl, an end-to-end Julia package for working with QUBO (Quadratic
Unconstrained Binary Optimization) instances. This tool aims to convert a broad range of …

Sustainable energy integration within the circular economy

JJ Klemeš, A Foley, F You, K Aviso, R Su… - … and Sustainable Energy …, 2023 - Elsevier
Abstract This Virtual Special Issue (VSI) presents a selection of the presentation at the 24 th
Conference of Process Integration, Modelling and Optimisation for Energy Saving and …