Electrolytes
Researchers from Sandia National Laboratories have conducted a study on the ion implantation technique, which they claim can address the persistent challenge of lithium filament growth in solid-state electrolytes. However, their investigation reveals a paradox - while ion implantation can enhance electrolyte performance, it may inadvertently compromise the material'
Albumin
Research conducted by scientists from Southwest Medical University in Luzhou, People's Republic of China, has shed light on the interactions between parabens and bovine serum albumin (BSA). The study, published in the Journal of Luminescence, employed multi-spectroscopy, molecular docking, and molecular dynamics analysis to investigate the binding between
Molecular dynamics
Scientists at Shanghai Institute of Technology have made significant strides in understanding the high-temperature oxidation resistance of CrAlN coatings. Their comprehensive study, combining ab initio molecular dynamics simulations with experiments, sheds new light on the atomic-scale mechanisms driving the oxidation process. The research team found that aluminum content and temperature
Aquifers
Researchers from the China University of Petroleum have made a groundbreaking discovery in the field of physics, exploring the use of underground hydrogen storage technology. The study, funded by the Fundamental Research Funds for the Central Universities, the Fund of State Key Laboratory of Deep Oil and Gas, and the
Albumin
Research conducted by scientists from Southwest Medical University in Luzhou, People's Republic of China, has shed light on the interactions between parabens and bovine serum albumin (BSA). The study, published in the Journal of Luminescence, employed multi-spectroscopy, molecular docking, and molecular dynamics analysis to investigate the binding between
Aquifers
Researchers from the China University of Petroleum have made a groundbreaking discovery in the field of physics, exploring the use of underground hydrogen storage technology. The study, funded by the Fundamental Research Funds for the Central Universities, the Fund of State Key Laboratory of Deep Oil and Gas, and the
Molecular dynamics
A team of researchers from the University of Minnesota has made a significant contribution to the field of molecular dynamics simulation by introducing a new method for improving the accuracy and numerical stability of multiscale simulations. The innovation, known as force field-driven backmapping, enables the use of larger time steps
Molecular dynamics
Research investigators have developed a comprehensive protocol for analyzing molecular dynamics simulations in terms of energy landscapes, metastable states, and transition pathways. This protocol, based on the distribution of reciprocal interatomic distances (DRID) for dimensionality reduction, followed by clustering and kinetic modeling, provides a robust and interpretable way to extract
Electrolytes
Researchers at Hassan II University in Morocco have conducted a comprehensive study on the properties of AZrF6 (A = Mg, Ca) electrolyte materials, revealing their potential as solid electrolytes for energy storage systems. Using first-principles calculations and molecular dynamics simulations, the team analyzed the materials' stability, mechanical, electronic, thermodynamic, phonon,
Simulation
Researchers from the Macau University of Science and Technology have developed a novel pipeline, MPBuild, that facilitates the high-fidelity simulation of membrane proteins, which serve as targets for 50% of FDA-approved drugs. The automated pipeline streamlines the system preparation process, enabling rapid characterization of these proteins via molecular dynamics simulation.
Molecular dynamics
Researchers at the University of Alberta have made a groundbreaking discovery in the field of physics, shedding light on the molecular-level mechanisms governing olefin solubility in polyethylene. Using molecular dynamics simulations, the team has revealed a complex interplay between ethylene, 1-hexene, and polyethylene, leading to a deeper understanding of the
Energy conservation
Scientists at Xi'an Jiaotong University in China have made a significant contribution to the field of nanotechnology by developing a new type of anti-icing surface. The researchers have created a hydrophobic photothermal surface covered with cilia, including mesoporous shell-core Fe3O4 nanoparticles, which rapidly heat up and achieve a
