Results 231 to 240 of about 1,047,095 (303)

High-Pressure Inelastic Neutron Spectroscopy: Experimental Validation of Machine-Learned Interatomic Potential Energy Landscapes. [PDF]

J Phys Chem Lett
Armstrong J, Jackson A, Elena A.
europepmc   +1 more source

Framework Flexibility on Water Sorption and Transport in ZIF‐90: Insights from Neural‐Network Molecular Dynamics

Advanced Materials Interfaces, EarlyView.
A DeepMD‐based molecular dynamics framework is developed to investigate water adsorption in ZIF‐90, explicitly accounting for framework flexibility. Results show that atomistic flexibility significantly influences adsorption energetics, diffusion, and structural correlations, yielding nearly constant heat of adsorption and enhanced mobility.
Nick Mackus, Ionut Tranca, Veerapandian Ponnuchamy, Silvia Gaastra‐Nedea   +3 more
wiley   +1 more source

AI-Physics-Experiment Trinity for Integrated Protein Dynamics Modeling. [PDF]

Adv Sci (Weinh)
Shi C, Low M, Xiu P, Lindorff-Larsen K, Wang Y.   +4 more
europepmc   +1 more source

Synthesis and Characterization of Biocompatible Manganese‐Doped Titania Nanoparticles and Its Application to Single‐Cell Nanoencapsulation

Advanced Materials Interfaces, EarlyView.
Biocompatible Mn‐doped TiO2 nanozymes integrate TiO2 stability with Mn redox activity, enabling dopamine‐mediated cell‐surface polymerization and single‐cell nanoencapsulation while maintaining high colloidal stability, low ROS generation, and excellent cellular compatibility.
Filip Kozłowski, Nayoung Kim, Hyunwoo Choi, Geoffrey Daniel, Gulaim A. Seisenbaeva, Insung S. Choi, Vadim G. Kessler   +6 more
wiley   +1 more source

Structural basis for HIV-1 Rev recognition by the histone chaperone human Nap1. [PDF]

J Biol Chem
Eren E, Watts NR, Winkler DC, Wingfield PT.   +3 more
europepmc   +1 more source

Controlled Synthesis of Tri‐ and Multi‐Doped Graphene

Advanced Materials Interfaces, EarlyView.
This review systematically evaluates synthesis routes for tri‐ and multi‐doped graphene, from hydrothermal and pyrolysis methods to flash Joule heating, critically assessing how each governs dopant incorporation, bonding configuration, and resulting electronic properties.
Maria Hasan, Alicja Bachmatiuk, Gražyna Simha Martynková, Karla Čech Barabaszová, Mark Hermann Rümmeli   +4 more
wiley   +1 more source

A Mechanism-Oriented Multiphysics Study of Scratch-Width-Dependent Galvanic Protection Loss in Mechanically Damaged Hot-Dip Galvanized Steel Enclosures. [PDF]

Materials (Basel)
Mai J, Xiao W, Yu F, Wang H, Wang J, Yang L, Zhang X, Gui L, Lin X, Wu S, Zhai X.   +10 more
europepmc   +1 more source

Surface Segregation in Compositionally Complex Ag‐Au‐Pd‐Pt Solid Solutions: Insights From High‐Throughput Experimentation and Atomistic Simulations

Advanced Materials Interfaces, EarlyView.
Surface segregation in quaternary Ag‐Au‐Pd‐Pt compositionally complex solid solutions is systematically mapped across 684 compositions by combining high‐throughput EDX and XPS characterization of co‐sputtered thin‐film libraries with large‐scale MD/MC atomistic simulations.
Ridha Zerdoumi, Felix Thelen, Quentin Bizot, Aleksander Kostka, Rico Zehl, Florian Lourens, Yanyan Liang, Matous Mrovec, Ralf Drautz, Wolfgang Schuhmann, Alfred Ludwig   +10 more
wiley   +1 more source

From principles to practice: A code of conduct for the human-centered and ethical development of immersive technologies. [PDF]

Open Res Eur
XR4HUMAN (The Equitable, Inclusive, and Human-Centered XR), De La Cruz Bernabe R, Baraas RC, Cox S, Hagen LA.   +6 more
europepmc   +1 more source

From the Discovery of the Giant Magnetocaloric Effect to the Development of High‐Power‐Density Systems

Advanced Materials Technologies, EarlyView.
The article overviews past and current efforts on caloric materials and systems, highlighting the contributions of Ames National Laboratory to the field. Solid‐state caloric heat pumping is an innovative method that can be implemented in a wide range of cooling and heating applications.
Agata Czernuszewicz, Yaroslav Mudryk, Jun Cui, Lucas Griffith, Duane D. Johnson, Julie Slaughter   +5 more
wiley   +1 more source