Molecular Simulation, Volume 50, Issue 2 (2024)

Browse this journal
Sample our Mathematics & Statistics journals, sign in here to start your FREE access for 14 days

Molecular Simulation, Volume 50, Issue 2 (2024)

See all volumes and issues
Volume 50, 2024 Vol 49, 2023 Vol 48, 2022 Vol 47, 2021 Vol 46, 2020 Vol 45, 2019 Vol 44, 2018 Vol 43, 2017 Vol 42, 2016 Vol 41, 2015 Vol 40, 2014 Vol 39, 2013 Vol 38, 2012 Vol 37, 2011 Vol 36, 2010 Vol 35, 2009 Vol 34, 2008 Vol 33, 2007 Vol 32, 2006 Vol 31, 2005 Vol 30, 2004 Vol 29, 2003 Vol 28, 2002 Vol 27, 2001 Vol 26, 2001 Vol 25, 2000 Vol 24, 2000 Vol 23, 1999-2000 Vol 22, 1999 Vol 21, 1998-1999 Vol 20, 1997-1998 Vol 19, 1997 Vol 18, 1996-1997 Vol 17, 1996 Vol 16, 1996 Vol 15, 1995 Vol 14, 1994-1995 Vol 13, 1994 Vol 12, 1994 Vol 11, 1993 Vol 10, 1993 Vol 9, 1992-1993 Vol 8, 1991-1992 Vol 7, 1991 Vol 6, 1991 Vol 5, 1990-1991 Vol 4, 1989-1990 Vol 3, 1989 Vol 2, 1989 Vol 1, 1987-1988
Download citations Download PDFs Download issue

Research Articles

Article
DFT Study of adsorption and diffusion of CO2 on bimetallic surfaces
Hamideh Khodabandeh, Ali Nakhaei Pour & Ali Mohammadi
Pages: 75-88
Published online: 20 Dec 2023
AbstractforDFT Study of adsorption and diffusion of CO2 on bimetallic surfaces | Full Text | References | PDF (4 MB) | EPUB | Supplemental
  • 164 Views
  • 0 CrossRef citations
  • 0Altmetric
Article
Molecular dynamics study on friction of polymer material polyamide 6 (PA 6)
Xinmin Li, Zhengjie Qiu, Yonglong Wu, Feilong Li & Runzhi Zhang
Pages: 89-103
Published online: 20 Dec 2023
AbstractforMolecular dynamics study on friction of polymer material polyamide 6 (PA 6) | Full Text | References | PDF (4.4 MB) | EPUB
  • 122 Views
  • 0 CrossRef citations
  • 0Altmetric
Article
Simulations of the thermodynamic properties of the helium fluid from the state-of-the-art ab initio potentials and their uncertainty estimation
Pan Xu, Qing-Yao Luo, Bo Dong & Bo Song
Pages: 104-116
Published online: 20 Dec 2023
AbstractforSimulations of the thermodynamic properties of the helium fluid from the state-of-the-art ab initio potentials and their uncertainty estimation | Full Text | References | PDF (2.2 MB) | EPUB | Supplemental
  • 75 Views
  • 0 CrossRef citations
  • 0Altmetric
Article
A molecular dynamic simulation-based study on nanoscale friction stir welding between copper and aluminium
Roshan Kumar Jha, K. Vijay Reddy & Snehanshu Pal
Pages: 117-128
Published online: 20 Dec 2023
AbstractforA molecular dynamic simulation-based study on nanoscale friction stir welding between copper and aluminium | Full Text | References | PDF (3.6 MB) | EPUB | Supplemental
  • 282 Views
  • 0 CrossRef citations
  • 0Altmetric
Article
Hydrogen embrittlement of iron nanowires: investigating size and orientation dependence on loading behaviour
Liam S. Morrissey
Pages: 129-136
Published online: 20 Dec 2023
AbstractforHydrogen embrittlement of iron nanowires: investigating size and orientation dependence on loading behaviour | Full Text | References | PDF (1.5 MB) | EPUB
  • 79 Views
  • 0 CrossRef citations
  • 0Altmetric
Article
Computational and in vitro targeting of HUVECs by ARA-Linker-TGFαL3 through VEGFR2
Abdolamir Ghadaksaz, Abbas Ali Imani Fooladi, Hamideh Mahmoodzadeh Hosseini, Mohsen Amin & Fatemeh Adami Ghamsari
Pages: 137-147
Published online: 20 Dec 2023
AbstractforComputational and in vitro targeting of HUVECs by ARA-Linker-TGFαL3 through VEGFR2 | Full Text | References | PDF (3.6 MB) | EPUB | Supplemental
  • 51 Views
  • 0 CrossRef citations
  • 0Altmetric
Article
Effects of lattice orientation and defect degree on Si/Al solid interfacial structure and thermal resistance
Liying Wang, Jiansheng Wang, Xueling Liu & Xinli Lu
Pages: 148-158
Published online: 20 Dec 2023
AbstractforEffects of lattice orientation and defect degree on Si/Al solid interfacial structure and thermal resistance | Full Text | References | PDF (2.3 MB) | EPUB
  • 117 Views
  • 0 CrossRef citations
  • 0Altmetric

Retraction

Retraction
Statement of Retraction: Ir-decorated gallium nitride nanotubes as a chemical sensor for recognition of mesalamine drug: a DFT study
Page: 159
Published online: 20 Dec 2023
CitationforStatement of Retraction: Ir-decorated gallium nitride nanotubes as a chemical sensor for recognition of mesalamine drug: a DFT study | Full Text | PDF (110.1 KB) | EPUB
  • 226 Views
  • 0 CrossRef citations
  • 0Altmetric
Free Access

Explore articles