Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu +5 more
wiley +1 more source
Correction for Richter and Schneidman, Building the connectome of a small brain with a simple stochastic developmental generative model. [PDF]
europepmc +1 more source
Multi-objective inventory optimization using reinforcement learning: a comparative study on profitability and carbon emissions. [PDF]
Sorour A +3 more
europepmc +1 more source
Ferroelectric Devices for In‐Memory and In‐Sensor Computing
Inspired by biological systems, in‐memory and in‐sensor computing overcome von Neumann bottlenecks. Ferroelectric devices can mimic synaptic functions and sense stimuli like light or force, therefore are ideal for these paradigms. This review introduces the ferroelectric devices applied for in‐memory and in‐sensor computing, covering their structures ...
Hong Fang +5 more
wiley +1 more source
A High-Fidelity Texture Discretization Method for Polycrystalline Aggregates Considering Grain Size Distributions. [PDF]
Guo H +5 more
europepmc +1 more source
This work provides a practical guide for neuroengineers to design advanced neural interfaces, embracing and tailoring the concept of functional disorder. By bridging 2D and 3D in vitro models, this work highlights how non‐periodic, spatially heterogeneous, multiscale nanotopography can enable more physiologically relevant platforms for studying neural ...
F. Maita +4 more
wiley +1 more source
Perpendicular ion heating in turbulence and reconnection: magnetic moment breaking by coherent fluctuations. [PDF]
Mallet A +4 more
europepmc +1 more source
Advances and Perspectives in Graphene‐Based Quantum Dots Enabled Neuromorphic Devices
Graphene‐based QDs are zero‐dimensional carbon nanomaterials with pronounced quantum confinement and tunable electronic structures. Herein, we summarize their synthesis strategies and functionalization methods, and highlight their functional roles and operating mechanisms in devices, as well as recent advances in neuromorphic electronics. We anticipate
Yulin Zhen +9 more
wiley +1 more source
Score-Based Tests With Fixed Effects Person Parameters in Item Response Theory: Detecting Model Misspecification Including Differential Item Functioning. [PDF]
Debelak R, Driver CC.
europepmc +1 more source
Using field‐based holo‐omics, we demonstrate that developmental shifts in sorghum leaf metabolomes drive a noncanonical fungal succession from stress tolerators (S) through ruderals (R) to competitors (C). Antifungal metabolites in young leaves select for S strategists with expanded genomes, transient maltose pulses during flowering favor fast‐growing ...
Peilin Chen, John W. Taylor, Cheng Gao
wiley +1 more source

