Editorial: Advancing understanding of biological and nanostructured materials through atomistic simulations

Umedjon Khalilov; Golibjon R. Berdiyorov; Yuantao Zhang; Maksudbek Yusupov

doi:10.3389/fphy.2025.1662523

Editorial: Advancing understanding of biological and nanostructured materials through atomistic simulations

Umedjon Khalilov^*
, Golibjon R. Berdiyorov
, Yuantao Zhang
, Maksudbek Yusupov

^*Corresponding author for this work

QEERI - Materials Unit

Research output: Contribution to journal › Editorial

Abstract

Atomistic simulations have become a cornerstone in the interdisciplinary fields of materials science, biophysics, and chemistry. These powerful computational methods offer unprecedented insights into the atomic-scale behavior of complex systems. Despite significant progress, a gap often remains between theoretical predictions and experimental observations. Unanswered questions persist regarding the intricate mechanisms of biological processes and the targeted synthesis of novel nanostructures with desired properties.

Original language	English
Article number	1662523
Journal	Frontiers in Physics
Volume	13
DOIs	https://doi.org/10.3389/fphy.2025.1662523
Publication status	Published - 29 Jul 2025

Keywords

Atomistic simulations
Biological materials
Free energy calculations
Nanostructured materials
Oxidative stress
Topological indices
molecular dynamics (MD)

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10.3389/fphy.2025.1662523

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abstract = "Atomistic simulations have become a cornerstone in the interdisciplinary fields of materials science, biophysics, and chemistry. These powerful computational methods offer unprecedented insights into the atomic-scale behavior of complex systems. Despite significant progress, a gap often remains between theoretical predictions and experimental observations. Unanswered questions persist regarding the intricate mechanisms of biological processes and the targeted synthesis of novel nanostructures with desired properties.",

keywords = "Atomistic simulations, Biological materials, Free energy calculations, Nanostructured materials, Oxidative stress, Topological indices, molecular dynamics (MD)",

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AU - Berdiyorov, Golibjon R.

AU - Zhang, Yuantao

AU - Yusupov, Maksudbek

PY - 2025/7/29

Y1 - 2025/7/29

N2 - Atomistic simulations have become a cornerstone in the interdisciplinary fields of materials science, biophysics, and chemistry. These powerful computational methods offer unprecedented insights into the atomic-scale behavior of complex systems. Despite significant progress, a gap often remains between theoretical predictions and experimental observations. Unanswered questions persist regarding the intricate mechanisms of biological processes and the targeted synthesis of novel nanostructures with desired properties.

AB - Atomistic simulations have become a cornerstone in the interdisciplinary fields of materials science, biophysics, and chemistry. These powerful computational methods offer unprecedented insights into the atomic-scale behavior of complex systems. Despite significant progress, a gap often remains between theoretical predictions and experimental observations. Unanswered questions persist regarding the intricate mechanisms of biological processes and the targeted synthesis of novel nanostructures with desired properties.

KW - Atomistic simulations

KW - Biological materials

KW - Free energy calculations

KW - Nanostructured materials

KW - Oxidative stress

KW - Topological indices

KW - molecular dynamics (MD)

UR - https://www.scopus.com/pages/publications/105012933618

U2 - 10.3389/fphy.2025.1662523

DO - 10.3389/fphy.2025.1662523

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AN - SCOPUS:105012933618

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VL - 13

JO - Frontiers in Physics

JF - Frontiers in Physics

M1 - 1662523

ER -

Editorial: Advancing understanding of biological and nanostructured materials through atomistic simulations

Abstract

Keywords

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