Long‐time scale simulations of virus‐like particles from three human‐norovirus strains
Sign Up to like & getrecommendations! Published in 2023 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.27087
Abstract: The dynamics of the virus like particles (VLPs) corresponding to the GII.4 Houston, GII.2 SMV, and GI.1 Norwalk strains of human noroviruses (HuNoV) that cause gastroenteritis was investigated by means of long‐time (about 30 μs… read more here.
Keywords: like particles; long time; scale simulations; virus like ... See more keywords
Industrial scale simulations of tablet coating using GPU based DEM: A validation study
Sign Up to like & getrecommendations! Published in 2019 at "Chemical Engineering Science"
DOI: 10.1016/j.ces.2019.03.029
Abstract: Abstract The coating of tablets to prevent product degradation or control dissolution is a typical process in its production. Coating uniformity is critical for the quality of final product and batch acceptance. Therefore, the coating… read more here.
Keywords: simulations tablet; process; industrial scale; scale simulations ... See more keywords
Pore- and macro-scale simulations of high temperature proton exchange fuel cells – HTPEMFC – and possible strategies for enhancing durability
Sign Up to like & getrecommendations! Published in 2017 at "International Journal of Hydrogen Energy"
DOI: 10.1016/j.ijhydene.2017.09.011
Abstract: The impact of catalyst particle distribution on gas dynamics, electro-chemistry and consequently the performance of polybenzimidazole-based HTPEMFC is explored. The main degradation mechanisms which shorten PEMFC durability are reviewed in details. This review shows that… read more here.
Keywords: macro scale; scale simulations; pore macro; durability pore ... See more keywords
Understanding Hindered Diffusion & Flow in Hierarchical Porous Networks Combining Electron Tomography and Pore-Scale Simulations
Sign Up to like & getrecommendations! Published in 2019 at "Microscopy and Microanalysis"
DOI: 10.1017/s1431927619002769
Abstract: Disordered hierarchical porous media play a crucial role as fixed bed supports for a wide range of applications from separation techniques such as HPLC to heterogeneous catalysis. To understand and ultimately optimize their performance, the… read more here.
Keywords: hierarchical porous; pore scale; hindered diffusion; understanding hindered ... See more keywords
Atomic scale simulations of heterogeneous electrocatalysis: recent advances
Sign Up to like & getrecommendations! Published in 2017 at "Advances in Physics: X"
DOI: 10.1080/23746149.2017.1308230
Abstract: Graphical Abstract Abstract The methodology for atomic scale calculations of electrocatalysis in order to identify mechanisms and estimate reaction rates is reviewed. These include: (1) the application of an external electrical field or potential in… read more here.
Keywords: simulations heterogeneous; electrocatalysis recent; scale simulations; atomic scale ... See more keywords
Enabling Large-Scale Simulations With the GENESIS Neuronal Simulator
Sign Up to like & getrecommendations! Published in 2019 at "Frontiers in Neuroinformatics"
DOI: 10.3389/fninf.2019.00069
Abstract: In this paper, we evaluate the computational performance of the GEneral NEural SImulation System (GENESIS) for large scale simulations of neural networks. While many benchmark studies have been performed for large scale simulations with leaky… read more here.
Keywords: large scale; genesis neuronal; enabling large; scale simulations ... See more keywords