Zobrazeno 1 - 10
of 977
pro vyhledávání: '"Haji-Akbari A"'
Confinement can substantially alter the physicochemical properties of materials by breaking translational isotropy and rendering all physical properties position-dependent. Molecular dynamics (MD) simulations have proven instrumental in characterizin
Externí odkaz:
http://arxiv.org/abs/2402.03285
Robust estimation of position-dependent anisotropic diffusivity tensors from stochastic trajectories
Materials under confinement can possess properties that deviate considerably from their bulk counterparts. Indeed, confinement makes all physical properties position-dependent and possibly anisotropic, and characterizing such spatial variations and d
Externí odkaz:
http://arxiv.org/abs/2304.10011
Autor:
Hussain, Sarwar, Haji-Akbari, Amir
Finite size artifacts arise in molecular simulations of nucleation when critical nuclei are too close to their periodic images. A rigorous determination of what constitutes too close is, however, a major challenge. Recently, we devised rigorous heuri
Externí odkaz:
http://arxiv.org/abs/2111.12647
Modulating ion transport through nanoporous membranes is critical to many important chemical and biological separation processes. The corresponding transport timescales, however, are often too long to capture accurately using conventional molecular d
Externí odkaz:
http://arxiv.org/abs/2204.10405
Autor:
Hussain, Sarwar, Haji-Akbari, Amir
Publikováno v:
Journal of Chemical Physics; 2/7/2022, Vol. 156 Issue 5, p1-9, 9p
Autor:
Shoemaker, Brian A., Haji-Akbari, Amir
Publikováno v:
Journal of Chemical Physics; 1/14/2024, Vol. 160 Issue 2, p1-18, 18p
Autor:
Hussain, Sarwar, Haji-Akbari, Amir
Contact freezing is a mode of atmospheric ice nucleation in which a collision between a dry ice nucleating particle (INP) and a water droplet results in considerably faster heterogeneous nucleation. The molecular mechanism of such enhancement is, how
Externí odkaz:
http://arxiv.org/abs/2009.02395
Autor:
Hussain, Sarwar, Haji-Akbari, Amir
Computational studies of crystal nucleation can be impacted by finite size effects, primarily due to unphysical interactions between crystalline nuclei and their periodic images. It is, however, not always feasible to systematically investigate the s
Externí odkaz:
http://arxiv.org/abs/2008.10179
Autor:
Hussain, Sarwar, Haji-Akbari, Amir
Rare events are processes that occur upon the emergence of unlikely fluctuations. Unlike what their name suggests, rare events are fairly ubiquitous in nature, as the occurrence of many structural transformations in biology and material sciences is p
Externí odkaz:
http://arxiv.org/abs/1912.13478
The ability of semipermeable membranes to selectively impede the transport of undesirable solutes is key to many applications. Yet, obtaining a systematic understanding of how membrane structure affects selectivity remains elusive due to the insuffic
Externí odkaz:
http://arxiv.org/abs/1906.00853