We introduce a computational workflow that combines quantum chemical calculations and machine learning techniques to predict the catalytic performance of a wide range of catalysts in the nitrogen reduction reaction (NRR). The analysis of the trained models provides insights into the complex structure–activity relationship in experimental catalytic ...
Leonardo Di Ciano +5 more
wiley +1 more source
Collocation-based Robust Variational Physics-Informed Neural Networks (CRVPINN)
Physics-Informed Neural Networks (PINNs) have been successfully applied to solve Partial Differential Equations (PDEs). Their loss function is founded on a strong residual minimization scheme.
Łoś, Marcin +5 more
core
Low-Temperature Prediction in Commercial Lithium-Ion Batteries during Dynamic Usage via Enhanced Physics-Informed Neural Networks. [PDF]
Pereira EL, Soares DM.
europepmc +1 more source
A deep learning inverse‐design framework is established to create versatile reconfigurable terahertz metadevices. By synergizing deep learning with phase‐change materials, this approach enables on‐demand customization of multidimensional electromagnetic responses.
Yisheng Dong +11 more
wiley +1 more source
Invariant Physics-Informed Neural Networks for Ordinary Differential Equations
Physics-informed neural networks have emerged as a prominent new method for solving differential equations. While conceptually straightforward, they often suffer training difficulties that lead to relatively large discretization errors or the failure to ...
Valiquette, Francis +2 more
core
Gradient-Driven Physics Informed Neural Networks for Conduction Heat Transfer and Incompressible Laminar Flow. [PDF]
Lu T +5 more
europepmc +1 more source
Full Vectorial Field Sensing Using Liquid Crystal Droplet Arrays
An inkjet‐printed liquid crystal droplet array enables compact, low‐cost, single‐shot sensing of the full vectorial light field. Within a single platform, it simultaneously retrieves intensity, polarization, and phase, while dual‐wavelength operation highlights its capability for multi‐wavelength optical field characterization. ABSTRACT Determining the
Xuke Qiu +10 more
wiley +1 more source
Parameter calibration method for car-following models under snowy weather conditions: Integrating an informer time series encoder and physics-informed neural networks. [PDF]
Sun Y, Li W, Yang M, Zhang X.
europepmc +1 more source
Soft Hardware, Flowing Software: Reconfigurable Microfluidics for Adaptable Chemical Computation
A reconfigurable microfluidic platform based on soft, photo‐printable, and chemically erasable hydrogel structures printed and erased in situ is used to control flow routing, mixing, chemical patterning, and even chemical computing. Using hardware to control chemical computations decouples logic function from molecular composition, demonstrated via ...
Piet J. M. Swinkels +4 more
wiley +1 more source
Investigating the use of physics informed neural networks for dam-break scenarios. [PDF]
Mumtaz K +3 more
europepmc +1 more source

