Recent advances in the continuous fractional component Monte Carlo methodology

A Rahbari, R Hens, M Ramdin, OA Moultos… - Molecular …, 2021 - Taylor & Francis
In this paper, we review recent advances in the Continuous Fractional Component Monte
Carlo (CFCMC) methodology and present a historic overview of the most important …

A new urban vitality analysis and evaluation framework based on human activity modeling using multi-source big data

S Liu, L Zhang, Y Long, Y Long, M Xu - ISPRS International Journal of …, 2020 - mdpi.com
A quantitative study of urban vitality brings new insights for evaluating the external
construction environment and internal development power of cities. However, it still has …

Etemadi multiple linear regression

S Etemadi, M Khashei - Measurement, 2021 - Elsevier
Regression modeling is one of the most widely used statistical processes to estimate the
relationships between dependent and independent variables, which have been frequently …

[HTML][HTML] Method construction of structure-property relationships from data by machine learning assisted mining for materials design applications

D Dai, Q Liu, R Hu, X Wei, G Ding, B Xu, T Xu, J Zhang… - Materials & Design, 2020 - Elsevier
Data driven material research is a hot topic in the cross field of artificial intelligence and
materials science. The core of new material prediction is to find the relationship between …

Electro-osmotic drag and thermodynamic properties of water in hydrated nafion membranes from molecular dynamics

A Rahbari, R Hartkamp, OA Moultos… - The Journal of …, 2022 - ACS Publications
One of the important parameters in water management of proton exchange membranes is
the electro-osmotic drag (EOD) coefficient of water. The value of the EOD coefficient is …

A novel reliability-based regression model to analyze and forecast the severity of COVID-19 patients

N Bakhtiarvand, M Khashei, M Mahnam… - BMC Medical Informatics …, 2022 - Springer
Abstract Background Coronavirus outbreak (SARS-CoV-2) has become a serious threat to
human society all around the world. Due to the rapid rate of disease outbreaks and the …

Competitive adsorption of xylenes at chemical equilibrium in zeolites

S Caro-Ortiz, E Zuidema, M Rigutto… - The Journal of …, 2021 - ACS Publications
The separation of xylenes is one of the most important processes in the petrochemical
industry. In this article, the competitive adsorption from a fluid-phase mixture of xylenes in …

Effect of water content on thermodynamic properties of compressed hydrogen

A Rahbari, JC Garcia-Navarro, M Ramdin… - Journal of Chemical & …, 2021 - ACS Publications
Force field-based molecular simulations were used to calculate thermal expansivities, heat
capacities, and Joule–Thomson coefficients of binary (standard) hydrogen–water mixtures …

An innovative method for calculating partial molar volume from a standard molecular trajectory

HI Parashkooh, C Jian - Journal of Molecular Liquids, 2024 - Elsevier
In this research, we present a novel method for calculating the partial molar volume (PMV) of
system components through post-processing the output trajectory of a molecular dynamic …

Monte Carlo Simulation of NaCl–H2O Phase Equilibria: Comparison of Classical Force Fields

KA Maerzke, TJ Yoon, RP Currier - Journal of Chemical & …, 2022 - ACS Publications
Gibbs ensemble Monte Carlo simulations were performed to predict the pressure–
composition phase diagrams of binary H2O–NaCl mixtures at 573 K and 633 K, pressures of …