Coupled multiphysics modelling of sensors for chemical, biomedical, and environmental applications with focus on smart materials and low-dimensional …

S Singh, R Melnik - Chemosensors, 2022 - mdpi.com
Low-dimensional nanostructures have many advantages when used in sensors compared
to the traditional bulk materials, in particular in their sensitivity and specificity. In such …

Mathematical and computational models of RNA nanoclusters and their applications in data-driven environments

S Badu, R Melnik, S Singh - Molecular Simulation, 2020 - Taylor & Francis
Ribonucleic acid (RNA) is a fundamental molecule having several favourable structural
properties that can be used for various potential applications in the field of nanotechnology …

Nonlinear vibration analysis of nanowire resonators for ultra-high resolution mass sensing

R Fallahpour, R Melnik - Measurement, 2021 - Elsevier
Nanoscale systems fabricated with low-dimensional nanostructures such as carbon
nanotubes, nanowires, quantum dots, and more recently graphene sheets, have fascinated …

Nonlocal Models in Biology and Life Sciences: Sources, Developments, and Applications

S Pal, R Melnik - arXiv preprint arXiv:2401.14651, 2024 - arxiv.org
Nonlocality is important in realistic mathematical models of physical and biological systems
at small-length scales. It characterizes the properties of two individuals located in different …

[HTML][HTML] 粗粒化分子动力学在药物载体材料中的研究进展

民权张, 铭城龚, 进王, 振华陈… - Sheng Wu Yi Xue Gong …, 2023 - ncbi.nlm.nih.gov
分子模拟作为传统计算机模拟经典技术之一, 可以直观地展示和量化分子结构,
从微观分子水平解释实验现象。 而当模拟体系增大时, 计算量也会增加 …

A molecular dynamics study of nanowire resonator bio-object detection

R Fallahpour, R Melnik - Journal of Mechanics in Medicine and …, 2022 - World Scientific
This paper presents a comprehensive analysis, carried out by the molecular dynamics (MD)
simulations, of the vibrations of silicon nanowire (SiNW) resonators, having diverse …

Research progress of coarse-grained molecular dynamics in drug carrier materials

M Zhang, M Gong, J Wang, Z Chen… - Sheng wu yi xue Gong …, 2023 - europepmc.org
分子模拟作为传统计算机模拟经典技术之一, 可以直观地展示和量化分子结构,
从微观分子水平解释实验现象. 而当模拟体系增大时, 计算量也会增加, 对模拟系统造成很大的 …

Understanding the Role of Microstructural Stability and Variability on Plastic Deformation Pathways in Polycrystalline Materials: A Multi-scale Modeling Approach

W Ye - 2022 - search.proquest.com
The focus of this work is to understand the role of microstructural stability and variability on
the plastic deformation behavior of polycrystalline materials. Emphasis is put on: developing …