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Drug design on quantum computers
R Santagati, A Aspuru-Guzik, R Babbush, M Degroote… - Nature Physics, 2024 - nature.com
The promised industrial applications of quantum computers often rest on their anticipated
ability to perform accurate, efficient quantum chemical calculations. Computational drug …
ability to perform accurate, efficient quantum chemical calculations. Computational drug …
Early fault-tolerant quantum computing
A Katabarwa, K Gratsea, A Caesura, PD Johnson - PRX quantum, 2024 - APS
In recent years, research in quantum computing has largely focused on two approaches:
near-term intermediate-scale quantum (NISQ) computing and future fault-tolerant quantum …
near-term intermediate-scale quantum (NISQ) computing and future fault-tolerant quantum …
Benchmarking quantum computers
T Proctor, K Young, AD Baczewski… - Nature Reviews …, 2025 - nature.com
The rapid pace of development in quantum computing technology has sparked a
proliferation of benchmarks to assess the performance of quantum computing hardware and …
proliferation of benchmarks to assess the performance of quantum computing hardware and …
Assessing the benefits and risks of quantum computers
TL Scholten, CJ Williams, D Moody, M Mosca… - arxiv preprint arxiv …, 2024 - arxiv.org
Quantum computing is an emerging technology with potentially far-reaching implications for
national prosperity and security. Understanding the timeframes over which economic …
national prosperity and security. Understanding the timeframes over which economic …
Block-invariant symmetry shift: Preprocessing technique for second-quantized hamiltonians to improve their decompositions to linear combination of unitaries
I Loaiza, AF Izmaylov - Journal of Chemical Theory and …, 2023 - ACS Publications
Computational cost of energy estimation for molecular electronic Hamiltonians via quantum
phase estimation (QPE) grows with the difference between the largest and smallest …
phase estimation (QPE) grows with the difference between the largest and smallest …
Assessing the query complexity limits of quantum phase estimation using symmetry-aware spectral bounds
CL Cortes, D Rocca, JF Gonthier, PJ Ollitrault… - Physical Review A, 2024 - APS
The computational cost of quantum algorithms for physics and chemistry is closely linked to
the spectrum of the Hamiltonian, a property that manifests in the necessary rescaling of its …
the spectrum of the Hamiltonian, a property that manifests in the necessary rescaling of its …
Improved precision scaling for simulating coupled quantum-classical dynamics
S Simon, R Santagati, M Degroote, N Moll, M Streif… - PRX Quantum, 2024 - APS
In this paper, we present a superpolynomial improvement in the precision scaling of
quantum simulations for coupled quantum-classical systems. Such systems are found in, eg …
quantum simulations for coupled quantum-classical systems. Such systems are found in, eg …
Estimation of electrostatic interaction energies on a trapped-ion quantum computer
PJ Ollitrault, M Loipersberger, RM Parrish… - ACS Central …, 2024 - ACS Publications
We present the first hardware implementation of electrostatic interaction energies by using a
trapped-ion quantum computer. As test system for our computation, we focus on the …
trapped-ion quantum computer. As test system for our computation, we focus on the …
Simulating optically active spin defects with a quantum computer
JS Baker, PAM Casares, MS Zini, J Thik, D Banerjee… - Physical Review A, 2024 - APS
There is a pressing need for more accurate computational simulations of the optoelectronic
properties of defects in materials to aid in the development of quantum sensing platforms. In …
properties of defects in materials to aid in the development of quantum sensing platforms. In …
Classical optimisation of reduced density matrix estimations with classical shadows using N-representability conditions under shot noise considerations
GLR Anselmetti, M Degroote, N Moll… - arxiv preprint arxiv …, 2024 - arxiv.org
Classical shadow tomography has become a powerful tool in learning about quantum states
prepared on a quantum computer. Recent works have used classical shadows to …
prepared on a quantum computer. Recent works have used classical shadows to …