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DeePMD-kit is a powerful open-source software package that facilitates molecular dynamics simulations using machine learning potentials known as Deep Potential (DP) models. This package, which was released in 2017, has been widely used in the fields of physics, chemistry, biology, and material science for studying atomistic systems. The current version of DeePMD-kit offers numerous advanced features, such as DeepPot-SE, attention-based and hybrid descriptors, the ability to fit tensile properties, type embedding, model deviation, DP-range correction, DP long range, graphics processing unit support for customized operators, model compression, non-von Neumann molecular dynamics, and improved usability, including documentation, compiled binary packages, graphical user interfaces, and application programming interfaces. This article presents an overview of the current major version of the DeePMD-kit package, highlighting its features and technical details. Additionally, this article presents a comprehensive procedure for conducting molecular dynamics as a representative application, benchmarks the accuracy and efficiency of different models, and discusses ongoing developments.

 

The development of multifunctional nanomaterials has received growing research interest, thanks to its ability to combine multiple properties for severing highly demanding purposes. In this work, holmium oxide nanoparticles are synthesized and characterized by various tools including XRD, XPS, and TEM. These nanoparticles are found to emit near-infrared fluorescence (800–1100 nm) under a 785 nm excitation source. Imaging of the animal tissues was demonstrated, and the maximum imaging depth was found to be 2.2 cm. The synthesized nanoparticles also show the capability of facilitating dye (fluorescein sodium salt and rhodamine 6G) degradation under white light irradiation. The synthesized holmium oxide nanoparticles are envisioned to be useful for near-infrared tissue imaging and dye-degradation. 

The concentration of dopamine (DA) and tyrosine (Tyr) reflects the condition of patients with Parkinson's disease, whereas moderate paracetamol (PA) can help relieve their pain. Therefore, real‐time measurements of these bioanalytes have important clinical implications for patients with Parkinson's disease. However, previous sensors suffer from either limited sensitivity or complex fabrication and integration processes. This work introduces a simple and cost‐effective method to prepare high‐quality, flexible titanium dioxide (TiO₂) thin films with highly reactive (001)‐facets. The as‐fabricated TiO₂film supported by a carbon cloth electrode (i.e., TiO₂–CC) allows excellent electrochemical specificity and sensitivity to DA (1.390 µA µM⁻¹ cm⁻²), Tyr (0.126 µA µM⁻¹ cm⁻²), and PA (0.0841 µA µM⁻¹ cm⁻²). More importantly, accurate DA concentration in varied pH conditions can be obtained by decoupling them within a single differential pulse voltammetry measurement without additional sensing units. The TiO₂–CC electrochemical sensor can be integrated into a smart diaper to detect the trace amount of DA or an integrated skin‐interfaced patch with microfluidic sampling and wireless transmission units for real‐time detection of the sweat Try and PA concentration. The wearable sensor based on TiO₂–CC prepared by facile manufacturing methods holds great potential in the daily health monitoring and care of patients with neurological disorders.

 

Abstract As the key component of wireless data transmission and powering, stretchable antennas play an indispensable role in flexible/stretchable electronics. However, they often suffer from frequency detuning upon mechanical deformations; thus, their applications are limited to wireless sensing with wireless transmission capabilities remaining elusive. Here, a hierarchically structured stretchable microstrip antenna with meshed patterns arranged in an arched shape showcases tunable resonance frequency upon deformations with improved overall stretchability. The almost unchanged resonance frequency during deformations enables robust on-body wireless communication and RF energy harvesting, whereas the rapid changing resonance frequency with deformations allows for wireless sensing. The proposed stretchable microstrip antenna was demonstrated to communicate wirelessly with a transmitter (input power of − 3 dBm) efficiently (i.e., the receiving power higher than − 100 dBm over a distance of 100 m) on human bodies even upon 25% stretching. The flexibility in structural engineering combined with the coupled mechanical–electromagnetic simulations, provides a versatile engineering toolkit to design stretchable microstrip antennas and other potential wireless devices for stretchable electronics.