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

Research output: Contribution to journalEditorial

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 languageEnglish
Article number1662523
JournalFrontiers in Physics
Volume13
DOIs
Publication statusPublished - 29 Jul 2025

Keywords

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

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