[HTML][HTML] The variational quantum eigensolver: a review of methods and best practices

J Tilly, H Chen, S Cao, D Picozzi, K Setia, Y Li, E Grant… - Physics Reports, 2022 - Elsevier
The variational quantum eigensolver (or VQE), first developed by Peruzzo et al.(2014), has
received significant attention from the research community in recent years. It uses the …

[HTML][HTML] Quantum computing for near-term applications in generative chemistry and drug discovery

A Pyrkov, A Aliper, D Bezrukov, YC Lin… - Drug Discovery …, 2023 - Elsevier
Highlights•Drug discovery is time consuming, expensive and experiences increasing
challenges.•Generation of new drug candidates is one of the major challenges.•Quantum …

Simulation intelligence: Towards a new generation of scientific methods

A Lavin, D Krakauer, H Zenil, J Gottschlich… - arxiv preprint arxiv …, 2021 - arxiv.org
The original" Seven Motifs" set forth a roadmap of essential methods for the field of scientific
computing, where a motif is an algorithmic method that captures a pattern of computation …

The state of quantum computing applications in health and medicine

FF Flöther - Research Directions: Quantum Technologies, 2023 - cambridge.org
Medicine, including fields in healthcare and life sciences, has seen a flurry of quantum-
related activities and experiments in the last few years (although biology and quantum …

Efficient quantum computation of molecular forces and other energy gradients

TE O'Brien, M Streif, NC Rubin, R Santagati, Y Su… - Physical Review …, 2022 - APS
While most work on the quantum simulation of chemistry has focused on computing energy
surfaces, a similarly important application requiring subtly different algorithms is the …

Leveraging small-scale quantum computers with unitarily downfolded hamiltonians

R Huang, C Li, FA Evangelista - PRX Quantum, 2023 - APS
In this work, we propose a quantum unitary downfolding formalism based on the driven
similarity renormalization group (QDSRG) that may be combined with quantum algorithms …

[PDF][PDF] Hyperparameter optimization of hybrid quantum neural networks for car classification

A Sagingalieva, A Kurkin, A Melnikov… - arxiv preprint arxiv …, 2022 - academia.edu
Image recognition is one of the primary applications of machine learning algorithms.
Nevertheless, machine learning models used in modern image recognition systems consist …

Quantum computing algorithms: getting closer to critical problems in computational biology

L Marchetti, R Nifosì, PL Martelli… - Briefings in …, 2022 - academic.oup.com
The recent biotechnological progress has allowed life scientists and physicians to access an
unprecedented, massive amount of data at all levels (molecular, supramolecular, cellular …

Error-mitigated fermionic classical shadows on noisy quantum devices

B Wu, DE Koh - npj Quantum Information, 2024 - nature.com
Efficiently estimating fermionic Hamiltonian expectation values is vital for simulating various
physical systems. Classical shadow (CS) algorithms offer a solution by reducing the number …

Complexity of life sciences in quantum and AI era

A Pyrkov, A Aliper, D Bezrukov… - Wiley …, 2024 - Wiley Online Library
Having made significant advancements in understanding living organisms at various levels
such as genes, cells, molecules, tissues, and pathways, the field of life sciences is now …