Bridging Nature and Technology: A Perspective on Role of Machine Learning in Bioinspired Ceramics
Advanced Engineering Materials, EarlyView.Machine learning (ML) is revolutionizing the development of bioinspired ceramics. This article investigates how ML can be used to design new ceramic materials with exceptional performance, inspired by the structures found in nature. The research highlights how ML can predict material properties, optimize designs, and create advanced models to unlock a ...
Hamidreza Yazdani Sarvestani +2 more
wiley +1 more source
Advanced Engineering Materials, EarlyView.Hydrostatic bearings excel in high‐precision applications, but their performance hinges on a continuous external supply. This study evaluates various material combinations for sliding surfaces to mitigate damage during supply failures or misalignment and to discover the most effective materials identified for enhancing the reliability and efficiency of
Michal Michalec +6 more
wiley +1 more source
Open-Source Machine Learning in Computational Chemistry. [PDF]
J Chem Inf Model, 2023 Hagg A, Kirschner KN.
europepmc +1 more source
A Different Perspective on the Solid Lubrication Performance of Black Phosphorous: Friend or Foe?
Advanced Engineering Materials, EarlyView.Researchers investigate black phosphorous (BP) as a standalone solid lubricant coating through ball‐on‐disc linear‐reciprocating sliding experiments in dry conditions. Testing on different metals shows BP doesn't universally reduce friction and wear. However, it achieves 33% friction reduction on rougher iron surfaces and 23% wear reduction on aluminum.
Matteo Vezzelli +5 more
wiley +1 more source
iScience, 2022 Summary: Transition metal macrocyclic complexes are appealing catalysts for electrochemical oxygen reduction reaction (ORR). Here, we perform first-principles calculations to gain a comprehensive understanding on the structure-property relationship of ...
Ziqi Tian +5 more
doaj
High performance computational chemistry: An overview of NWChem a distributed parallel application [PDF]
, 2000 Ricky A. Kendall +12 more
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Advanced Engineering Materials, EarlyView.Molecular dynamics simulations are advancing the study of ribonucleic acid (RNA) and RNA‐conjugated molecules. These developments include improvements in force fields, long‐timescale dynamics, and coarse‐grained models, addressing limitations and refining methods.
Kanchan Yadav, Iksoo Jang, Jong Bum Lee
wiley +1 more source
Linear-Scaling Quantum Circuits for Computational Chemistry. [PDF]
J Chem Theory Comput, 2023 Magoulas I, Evangelista FA.
europepmc +1 more source
Ionization characteristics and chemical influences of aspartic acid residue 158 of papain and caricain determined by structure-related kinetic and computational techniques: multiple electrostatic modulators of active-centre chemistry [PDF]
, 2000 Michael Noble +3 more
openalex +1 more source
Powder Metallurgy and Additive Manufacturing of High‐Nitrogen Alloyed FeCr(Si)N Stainless Steel
Advanced Engineering Materials, EarlyView.The alloying element Nitrogen enhances stainless steel strength, corrosion resistance, and stabilizes austenite. This study develops austenitic FeCr(Si)N steel production via powder metallurgy. Fe20Cr and Si3N4 are hot isostatically pressed, creating an austenitic microstructure.
Louis Becker +5 more
wiley +1 more source