ReviewChemical reviews2016
Modeling Molecular Interactions in Water: From Pairwise to Many-Body Potential Energy Functions.
Review in Chemical reviews, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 88 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
88 citing papers in PubMed, 468 citations in OpenAlex.
- The Anomalously High Boiling Point of Water Revisited.ChemistryOpen · 2026Article
- Infrared Spectroscopy of Protonated Water Clusters via the Quantum Thermal Bath Method and Highly Accurate Machine-Learned Potentials.The journal of physical chemistry. A · 2026Article
- More Converged, Less Accurate? Reassessing Standard Choices for Ab Initio Water Using Machine Learning Potentials.The journal of physical chemistry. B · 2026Article
- Bayesian Modeling of Polarizable Water: Lessons for Force Field Development.Journal of chemical theory and computation · 2026Article
- Cryo-EM structure and biochemical characterization of a BRAF/CRAF heterodimer: Negative charge in the NtA motif is not required for RAF activation.bioRxiv : the preprint server for biology · 2026Article
- Energy landscape statistics and thermodynamics of a machine-learned model of water.Proceedings of the National Academy of Sciences of the United States of America · 2026Article
- GOPAL: A Water Model with Improved Thermodynamic Properties over a Large Pressure and Temperature Range Optimized Using Multistate Reweighting and Configuration Space Mapping.Journal of chemical theory and computation · 2025Article
- Anomalous Water Fluorescence Induced by Solutes.The journal of physical chemistry letters · 2025Article
- The Q-AMOEBA (CF) Polarizable Potential.The journal of physical chemistry letters · 2025Article
- Molecular Dynamics Simulation of the Influence of COACS omega · 2025Article
- Hydrogen Bond Interaction Networks in the Mixed Pentamers of Hydrogen Sulfide and Water.Journal of the American Chemical Society · 2025Article
- Analyzing Many-Body Charge Transfer Effects With the Fragment Molecular Orbital Method.Journal of computational chemistry · 2025Article
- Automated Refinement of Property-Specific Polarizable Gaussian Multipole Water Models Using Bayesian Black-Box Optimization.Journal of chemical theory and computation · 2025Article
- Designing of a novel chimeric antimicrobial peptide againstResearch in pharmaceutical sciences · 2025Article
- Crash testing machine learning force fields for molecules, materials, and interfaces: model analysis in the TEA Challenge 2023.Chemical science · 2025Article
- Modeling Many-Body Interactions in Water with Gaussian Process Regression.The journal of physical chemistry. A · 2024Article
- Article
- Enhanced Sampling with Machine Learning.Annual review of physical chemistry · 2024Review
- Understanding X-ray absorption in liquid water using triple excitations in multilevel coupled cluster theory.Nature communications · 2024Article
- Water Potential from Adaptive Force Matching for Ice and Liquid with Revised Dispersion Predicts Supercooled Liquid Anomalies in Good Agreement with Two Independent Experimental Fits.The journal of physical chemistry. B · 2024Article
28 more citing papers are in PubMed but not listed here.
Corrections and comments
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Authors and funding
10 authors at 7 institutions in 5 countries.
Funding
Abstract
Almost 50 years have passed from the first computer simulations of water, and a large number of molecular models have been proposed since then to elucidate the unique behavior of water across different phases. In this article, we review the recent progress in the development of analytical potential energy functions that aim at correctly representing many-body effects. Starting from the many-body expansion of the interaction energy, specific focus is on different classes of potential energy functions built upon a hierarchy of approximations and on their ability to accurately reproduce reference data obtained from state-of-the-art electronic structure calculations and experimental measurements. We show that most recent potential energy functions, which include explicit short-range representations of two-body and three-body effects along with a physically correct description of many-body effects at all distances, predict the properties of water from the gas to the condensed phase with unprecedented accuracy, thus opening the door to the long-sought "universal model" capable of describing the behavior of water under different conditions and in different environments.
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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.