ArticleJournal of chemical information and modeling2021
New Features of the Open Source Monte Carlo Software Brick-CFCMC: Thermodynamic Integration and Hybrid Trial Moves.
Article in Journal of chemical information and modeling, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 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
13 citing papers in PubMed.
- Molecular Simulation of Hydrogen Systems: From Properties and Methods to Applications and Future Directions.Chemical reviews · 2025Review
- An Accurate Thermodynamic Model to Characterise Dissociating NInternational journal of thermophysics · 2025Article
- Prediction of Thermochemical Properties of Long-Chain Alkanes Using Linear Regression: Application to Hydroisomerization.The journal of physical chemistry. B · 2024Article
- The Impact of Metal Centers in the M-MOF-74 Series on Formic Acid Production.ACS applied materials & interfaces · 2024Article
- Thermophysical Properties and Phase Behavior of COJournal of chemical and engineering data · 2024Article
- Mutual Diffusivities of Mixtures of Carbon Dioxide and Hydrogen and Their Solubilities in Brine: Insight from Molecular Simulations.Industrial & engineering chemistry research · 2024Article
- Accurate Free Energies of Aqueous Electrolyte Solutions from Molecular Simulations with Non-polarizable Force Fields.The journal of physical chemistry letters · 2024Article
- Interfacial Tensions, Solubilities, and Transport Properties of the HJournal of chemical and engineering data · 2024Article
- Calculating Thermodynamic Factors for Diffusion Using the Continuous Fractional Component Monte Carlo Method.Journal of chemical theory and computation · 2024Article
- Solving Chemical Absorption Equilibria using Free Energy and Quantum Chemistry Calculations: Methodology, Limitations, and New Open-Source Software.Journal of chemical theory and computation · 2023Article
- Solubility of COThe journal of physical chemistry. C, Nanomaterials and interfaces · 2022Article
- A New Force Field for OHThe journal of physical chemistry. B · 2022Article
- Solubilities and Transport Properties of COThe journal of physical chemistry. B · 2022Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
12 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
We present several new major features added to the Monte Carlo (MC) simulation code Brick-CFCMC for phase- and reaction equilibria calculations (https://gitlab.com/ETh_TU_Delft/Brick-CFCMC). The first one is thermodynamic integration for the computation of excess chemical potentials (μ
Indexed as
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.