What is it about?
This research introduces HydroNanoConstruct, an online tool that helps scientists build realistic models of metal oxide nanoparticles starting from crystal structure data. It shows how nanoparticles form, grow, and behave in water or biological environments, supporting safer and more sustainable nanomaterials design.
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Why is it important?
Many nanoparticles change their structure and properties when they come into contact with water or biological fluids, yet most digital tools still rely on simplified or vacuum-based models. This work is important because it enables the realistic simulation of hydrated nanoparticles, helping researchers better understand crystal growth, stability, and interactions relevant to nanosafety and sustainable materials design.
Perspectives
From my perspective, HydroNanoConstruct addresses a long-standing gap between idealized nanoparticle models and real-world conditions. By lowering the technical barriers to building realistic, hydrated nanoparticles, this tool can support wider adoption of atomistic simulations in nanomaterials research, risk assessment, and data-driven modelling.
Dr Antreas Afantitis
NovaMechanics Ltd
Read the Original
This page is a summary of: HydroNanoConstruct: A Web Application for Digital Construction, Crystal Growth Investigation, and Atomistic Descriptor Calculation of Hydrated Metal Oxide Nanoparticles Powered by the EosCloud Platform, Journal of Chemical Information and Modeling, December 2025, American Chemical Society (ACS),
DOI: 10.1021/acs.jcim.5c01889.
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