Navigating chemical design spaces for metal-ion batteries via machine-learning-guided phase-field simulations
Sign Up to like & getrecommendations! Published in 2025 at "npj Computational Materials"
DOI: 10.1038/s41524-025-01735-x
Abstract: Metal anodes provide the highest energy density in batteries. However, they still suffer from electrode/electrolyte interface side reactions and dendrite growth, especially under fast-charging conditions. In this paper, we consider a phase-field model of electrodeposition… read more here.
Keywords: chemical design; phase field; field; navigating chemical ... See more keywords
Navigating on a chemical radar: Usage of root exudates by foraging Diabrotica virgifera virgifera larvae
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DOI: 10.1111/jen.12480
Abstract: In the darkness of the soil matrix, the larva of the western corn rootworm (WCR) Diabrotica virgifera virgifera LeConte relies on chemical cues to locate and accept its host plant roots. For almost 40 years,… read more here.
Keywords: virgifera virgifera; navigating chemical; root; chemical ... See more keywords
Navigating the Chemical Space of ENR Inhibitors: A Comprehensive Analysis
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DOI: 10.3390/antibiotics13030252
Abstract: Antimicrobial resistance is a global health threat that requires innovative strategies against drug-resistant bacteria. Our study focuses on enoyl-acyl carrier protein reductases (ENRs), in particular FabI, FabK, FabV, and InhA, as potential antimicrobial agents. Despite… read more here.
Keywords: chemical space; analysis; navigating chemical; space enr ... See more keywords