ArticleJournal of chemical theory and computation2025
Towards Routine Condensed Phase Simulations with Delta-Learned Coupled Cluster Accuracy: Application to Liquid Water.
Article in Journal of chemical theory and computation, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
What it found
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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.
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Who cites it
6 citing papers in PubMed.
- Data-Efficient and Fast Machine Learning Molecular Dynamics through Integrated Active Learning and Knowledge Distillation.Journal of chemical theory and computation · 2026Article
- Reactive Chemistry at the Unrestricted Coupled Cluster Level: High-Throughput Calculations for Training Machine Learning Potentials.Journal of chemical theory and computation · 2026Article
- More Converged, Less Accurate? Reassessing Standard Choices for Ab Initio Water Using Machine Learning Potentials.The journal of physical chemistry. B · 2026Article
- Transfer Learning Meets Embedded Correlated Wavefunction Theory for Chemically Accurate Molecular Simulations: Application to Calcium Carbonate Ion Pairing.Journal of chemical theory and computation · 2026Article
- Molecular Dynamics-Instantaneous Frequencies of Molecules Method to Address the Performance of Classical and Rigid Water Force Fields.The journal of physical chemistry. B · 2026Article
- Machine-Learning Interatomic Potentials Achieving CCSD(T) Accuracy for Systems with Extended Covalent Networks and van der Waals Interactions.Journal of chemical theory and computation · 2026Article
Corrections and comments
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Authors and funding
8 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Simulating liquid water to an accuracy that matches its wealth of available experimental data requires both precise electronic structure methods and reliable sampling of nuclear (quantum) motion. This is challenging because applying the electronic structure method of choice, coupled cluster theory with single, double, and perturbative triple excitations [CCSD(T)] to condensed phase systems, is currently limited by its computational cost and complexity. Recent
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Registered trials
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