Organic Materials of Tomorrow: Horizons of Artificial Intelligence
This review examines machine learning techniques accelerating the discovery of organic semiconductors by linking molecular structure to properties. Key methods include graph neural networks, generative models, and active learning. Applications to organic photovoltaics demonstrate practical impact.
Harold Mena +3 more
wiley +1 more source
The Structure of the Chemotype Determining Locus in <i>Cannabis sativa</i>. [PDF]
Allen K, Torres A, Gaudino R.
europepmc +1 more source
Phase‐Pure and Size‐Tunable Tin Halide Perovskite Quantum Dots
A trioctylphosphine oxide modulated protocol allows for the synthesis and study of the optical properties of a broad library of tin halide perovskite quantum dots across multiple A‐ and X‐site compositions with precise size tuning while eliminating unwanted 2D phases.
Ole F. Dressler +7 more
wiley +1 more source
Design and validation of a ribosome display library for synthetic nanobody selection. [PDF]
Gu W +8 more
europepmc +1 more source
Phase Engineering of Atomically Precise Nanoclusters (APNCs) of Gold and Beyond
Engineering the structural phase of materials is of paramount importance for both fundamental research and practical applications. In this Review, we summarize the recent progress in controlling the phases of atomically precise nanoclusters (APNCs) of gold, silver and copper, as well as bimetallic systems. The phase‐enabled material properties of APNCs
Yitong Wang +4 more
wiley +1 more source
Curation of Mass Spectrometry Reference Data for Improved Identification and Dereplication of Cyanobacterial Specialized Metabolites. [PDF]
Schanbacher F +4 more
europepmc +1 more source
Generating Unconventional Spin‐Orbit Torques With Patterned Phase Gradients in Tungsten Thin Films
ABSTRACT A key aim in spintronics is to achieve current‐induced magnetization switching via spin‐orbit torques without external magnetic fields. For this, the focus of recent work has been on introducing controlled lateral gradients across ferromagnet/heavy‐metal devices, giving variations in thickness, composition, or interface quality.
Lauren J. Riddiford +9 more
wiley +1 more source
Lignonaut: designing diverse combinatorial libraries for the exploration and annotation of lignin oligomer spaces. [PDF]
Norberg M, Sandahl M, Spégel P.
europepmc +1 more source
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
Editorial: Bioactive natural products for health: isolation, structural elucidation, biological evaluation, structure-activity relationship, and mechanism, volume II. [PDF]
Ma QG +5 more
europepmc +1 more source

