ArticleNature communications2019
An adaptive variational algorithm for exact molecular simulations on a quantum computer.
Article in Nature communications, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 91 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
91 citing papers in PubMed, 996 citations in OpenAlex.
- Physics-Informed Machine Learning Correction of Variational Quantum Eigensolver Energies for Molecular Ground States.ACS omega · 2026Article
- Resource-Efficient Quantum Algorithms for Selected Hamiltonian Subspace Diagonalization.Journal of chemical theory and computation · 2026Article
- Counterdiabatic ADAPT-VQE for Molecular Simulation.Journal of chemical theory and computation · 2026Article
- Theoretical Perspectives of Precision Chemistry.Precision chemistry · 2026Review
- Analysis of Influencing Factors in Quantum Chemistry Simulation Based on VQE Algorithm.Entropy (Basel, Switzerland) · 2026Article
- Molecular Resonance Identification in Complex Absorbing Potentials via Integrated Quantum Computing and High-Throughput Computing.Journal of chemical theory and computation · 2026Article
- Generalized Eigenvalue Problem in Subspace-Based Excited-State Methods for Quantum Computers.Journal of chemical theory and computation · 2026Article
- Training-Free Quantum Architecture Search Under Realistic Noise via Expressibility-Guided Evolution.Entropy (Basel, Switzerland) · 2026Article
- Exploring Hückel Molecular Orbital Energies through Variational and Phase Estimation Quantum Algorithms.The journal of physical chemistry letters · 2026Article
- Quantum-classical hybrid computation of electron transfer in a cryptochrome proteinChemical science · 2026Article
- Harnessing Quantum Computing for Energy Materials: Opportunities and Challenges.ACS energy letters · 2026Review
- Approximate quantum circuit compilation for proton-transfer kinetics on quantum processors.Physical chemistry chemical physics : PCCP · 2026Article
- Pathfinding quantum simulations of neutrinoless double-β decay.Nature communications · 2026Article
- Determining the EnsembleJournal of chemical theory and computation · 2026Article
- Quantum-machine-assisted drug discovery.npj drug discovery · 2026Review
- Quantum medicine: A quantum-mechanical framework for redox biology, disease and precision medicine.Clinical and translational medicine · 2026Review
- Thermal Weight Determination and Interstate Coupling in State-Averaged ADAPT-VQE.Journal of chemical theory and computation · 2025Article
- Quantum computation of the electronic structure of some prototype solids.Scientific reports · 2025Article
- Beyond real: alternative unitary cluster Jastrow models for molecular electronic structure calculations on near-term quantum computers.Chemical science · 2025Article
- Artificial intelligence for quantum computing.Nature communications · 2025Review
31 more citing papers are in PubMed but not listed here.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
4 authors at 1 institution in 1 country.
Funding
Abstract
Quantum simulation of chemical systems is one of the most promising near-term applications of quantum computers. The variational quantum eigensolver, a leading algorithm for molecular simulations on quantum hardware, has a serious limitation in that it typically relies on a pre-selected wavefunction ansatz that results in approximate wavefunctions and energies. Here we present an arbitrarily accurate variational algorithm that, instead of fixing an ansatz upfront, grows it systematically one operator at a time in a way dictated by the molecule being simulated. This generates an ansatz with a small number of parameters, leading to shallow-depth circuits. We present numerical simulations, including for a prototypical strongly correlated molecule, which show that our algorithm performs much better than a unitary coupled cluster approach, in terms of both circuit depth and chemical accuracy. Our results highlight the potential of our adaptive algorithm for exact simulations with present-day and near-term quantum hardware.
Identifiers
What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.