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Taking Longer Steps in Numerical Simulations

It’s often the case that a dynamical system’s constituents move orders of magnitude more quickly than the collective motion that interests researchers. That disparity in scale frustrates modelers. So many computationally intensive time steps are needed to reach the final state that the computation becomes infeasible. Now Filippo Bigi of the Swiss Federal Institute of Technology in Lausanne (EPFL) and his colleagues have extended and tested an approach that uses a machine-learning model to extend the time steps in an atomic-scale simulation by an order of magnitude or more while obeying physical constraints [1]. Their method is general and could be applied to planetary systems, molecular machines, and other dynamical systems.

The EPFL researchers’ starting point was a formulation of classical mechanics that describes the evolution of a system in terms of the positions and momenta of its constituents and an energy term, the Hamiltonian. In general, these and other equations of classical mechanics satisfy fundamental geometric constraints. What’s more, approximate solutions of those equations can be made to satisfy the same constraints. Bigi and his colleagues realized that machine learning could leapfrog over many time steps while also respecting those same geometric constraints.

The researchers tested their approach on several systems, including the three-body problem of celestial dynamics and the transition of germanium telluride to a glassy state. Their simulations reproduced trusted benchmarks but with time steps ten or so times longer. Currently, enforcing the physical constraints undoes most of the computational advantage of the longer time steps. However, the team is optimistic that it can find more computationally efficient implementations.

Physicists observe synchronized quantum dance of excitons and phonons

An international team of researchers has reported a major advance in understanding quantum dynamics in semiconductor materials. They directly observed how excitons and phonons evolve together in perovskite nanocrystals, revealing a fully coherent quantum dance between light-induced electronic excitations and crystal lattice vibrations. They published their findings in Nature Communications.

An exciton is created when light excites an electron inside a semiconductor. The electron absorbs energy and leaves behind a positively charged “hole”; the two bind together and move through the crystal as a single quantum object. A phonon is a different kind of quantum object, as it is a quantum of crystal lattice vibration. Though fundamentally different objects, in perovskites they are strongly linked and evolve together as a coupled quantum system.

Perovskite nanocrystals are miniature crystals only a few nanometers in size, a thousand times smaller than the thickness of a hair. Each crystal forms a nanoscale “box” that traps both excitons and phonons. This confinement makes the interaction between them especially strong: An exciton inside the nanocrystal is tightly coupled to vibrations of the surrounding crystal lattice.

Scientists identify the origin of noise in spin qubit quantum processors

A spin qubit, in which quantum information is encoded in the spin state of an electron, is one of the most promising platforms for quantum computing. Spin qubits exhibit long coherence times and are compatible with advanced semiconductor manufacturing technologies. The leading implementation of spin qubits involves confined electrons inside quantum dots, a nanoscale semiconductor architecture that behaves like a controllable artificial atom. Recent advances have enabled high-fidelity operation of single- and two-qubit gates, exceeding the threshold required for certain surface code quantum error correction techniques.

Scientists reverse Alzheimer’s in mice with breakthrough nanotechnology

A new nanotechnology treatment reversed Alzheimer’s symptoms in mice by restoring the brain’s natural cleanup system. The specially engineered nanoparticles helped clear toxic amyloid proteins from the brain and repair the blood-brain barrier, which normally protects and regulates the brain’s environment. In one striking experiment, elderly mice treated with the therapy later behaved like healthy younger mice.

Nanostructures: a platform for brain repair and augmentation

One of the major challenges for nanotechnology deals with the diagnosis and treatment of BBB-related dysfunctions involving stroke, brain tumors and cancer. Tight junction (TJ) barriers protect the CNS. These barriers are located in three main locations inside CNS: the brain endothelium, the arachnoid epithelium, and the choroid plexus epithelium (Figure 3, Abbott et al., ). BBB consists of endothelial cells connected by close fitting junctions that separate the flowing blood from the brain extracellular fluid. Therefore, BBB controls the entrance of biomolecules into the brain and protects the brain from many common bacterial infections. However, the BBB presents a few limitations for nanomedicine approaches. For instance, due to the presence of BBB, the drug delivery to the brain area for tumor therapy or other neurodegenerative diseases such as Alzheimer’s is a crucial challenge. The majority of diagnosed brain tumors are currently treated with surgery, radiation, and chemotherapy; nanoscience and technology could be a promising solution to this challenge. There are several comprehensive reviews on the interaction of BBB with nanomaterials that focus on various methods to transfer nanomaterials across BBB (Chen and Liu, ; Khawli and Prabhu, ; Krol et al., ).

Figure 4 (Chen and Liu, ) presents the main, well-recognized, transport pathways across BBB, which are commonly used for carrying solute molecules. Among all the pathways shown in Figure 4, the “g” route is the most suitable for drug delivery via liposomes or nanoparticles. A summary of the conventional methods used for BBB permeability assessment is given in Stam’s work (Stam, ).

Different approaches and routes possible for transport of drugs across the BBB as summarized in Table 1. Biocompatible nanomaterials such as nanoparticles, liposomes, and supramolecular aggregates are promising drug carriers since their size can be tuned to fit the BBB transport. In addition, their surfaces can be functionalized to facilitate their transport through the BBB. It should be mentioned that the cytotoxicity of NPs must be precisely monitored, using various well-recognized methodologies (Mahmoudi et al., , ; Mao et al., ), to ensure their biocompatibility. The surface functional groups enhance the BBB permeability by various mechanisms such as adsorptive-mediated transcytosis and receptor-mediated transcytosis. As an example, Lactoferrin is a receptor located on cerebral endothelial cells that facilitates the transport of NPs across BBB by receptor-mediated transcytosis (Qiao et al., ).

Ultrathin nanotubes reach 1 nanometer, opening path to smaller electronics

Researchers in Japan have created some of the world’s smallest semiconducting nanotubes, structures 100,000 times thinner than a human hair. By growing molybdenum disulfide inside protective tubes of boron nitride, the researchers, including those from the University of Tokyo, produced highly uniform tubes just 1 nanometer wide, a scale at which it’s difficult to make stable nanotube structures. The work confirms decades-old theoretical predictions about how these ultrafine materials behave and could also provide a new route toward miniaturized electronic devices.

The research is published in the journal Science.

A few years ago, carbon nanotubes were attracting a lot of press attention. But there’s a new contender in the ring, and it offers some advantages over its carbon counterpart that could tempt engineers to design products around it.

Nano Weapons: The Invisible Machines Changing Future Wars!

In this video, we explore the incredible and terrifying world of nano-weapons — microscopic machines designed for the battlefields of the future. From invisible drones to molecular-level assassins, nanotechnology is revolutionizing modern warfare in ways the world has never seen before. Discover how these tiny machines can spy, sabotage, and even kill at the atomic scale. We’ll uncover real-world research, secret military projects, and the ethical dangers behind the next generation of warfare. The rise of nano-weapons could change the balance of global power forever — but are we ready for what’s coming? Watch till the end to understand the full potential and risks of these microscopic war machines.
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