Scientific Resource Catalog
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This paper introduces the concept of Molecular Computational Complexity (MCC), a novel framework that shifts the focus of understanding molecular behavior from computational software complexity to the inherent information requirements necessary for a molecule's formation and stability. MCC posits t…
This paper proposes a novel framework for understanding chemical transformations based on the principle of Molecular Information Entropy Conservation. We introduce the concept of "Molecular Information" as a fundamental property inherent in molecules, distinct from mass, charge, and energy. The cor…
The rapid development of wireless communication technologies and electronic devices has intensified electromagnetic interference (EMI) pollution, creating an urgent demand for lightweight and efficient shielding materials. In this work, RSF/PVA/MXene composite aerogels with ordered lamellar structu…
Abstract Composites composed of plant fibres and bio-based resin systems expand the range of sustainable materials for lightweight applications. However, natural fibres require special handling during manufacturing due to their high hydrophilic nature in order to achieve acceptable quality, and the…
Poly(vinyl chloride) (PVC) and multi-walled carbon nanotubes (MWCNTs) were hot-pressed into ∼0.25 mm thick (PVC)100–x/(MWCNTs)x thin-film composites (TFCs), where x = 0.2–10 wt%. MWCNTs were examined by SEM-EDX, TGA, and TPD MS. The MWCNTs exhibited thermal stability, with a mass loss of ∼3.5% up t…
This paper introduces the Reaction Intelligence Principle (RIP), a novel framework that moves beyond anthropomorphic notions of "intelligent" molecules. Instead, RIP posits that chemical systems inherently exhibit optimized behavior reminiscent of intelligence, particularly through the formation of…
Cyanophycin granule polypeptide (CGP), also known as multi-L-arginyl-poly(aspartic acid), is a biodegradable biopolymer composed primarily of aspartic acid and arginine. Due to its versatile functional properties, CGP has attracted increasing interest for potential applications in food, medicine, c…
Medium-entropy ferrites have emerged as a versatile class of materials with tunable multifunctional properties arising from configurational disorder. Herein, a biotemplate-assisted synthesis of a medium-entropy spinel ferrite, [Mg 0.25 Co 0.25 Ni 0.25 Zn 0.25 ]Fe 2 O 4 , is reported using albumen a…
Nanozymes have emerged as robust and scalable alternatives to natural enzymes, offering high catalytic activity and structural stability. However, reproducing the exquisite selectivity of enzymatic catalysis, particularly their ability to operate with high precision in complex reaction systems, rem…
Abstract Semicrystalline polymers, e.g., polyethylene terephthalate (PET), release micro- (100 nm to 1 mm) and nanoplastics (up to 100 nm) [MNPL] when they are degraded under quiescent conditions. However, the exact molecular mechanisms leading to material fragmentation into MNPL are unknown. Here,…
Corrosion of reinforcing steel remains a major cause of premature deterioration in concrete infrastructure, motivating the development of inhibitors with lower toxicity and reduced environmental impact. This review critically examines recent advances in green and bio-based corrosion inhibitors for…
This paper introduces the Chemical Phase Space Singularity Map (CPSSM), a novel approach to understanding chemical transformations. Unlike traditional methods like the periodic table, the CPSSM constructs a comprehensive map of the reaction phase landscape, identifying key transition points – singu…
The novel 18Cr-18Mn duplex steel arose from the need to prevent catastrophic failures caused by stress corrosion cracking in generator retaining rings. In this work, we propose using this material with a silicon carbide coating to prevent SCC failures in generators, which cause cracking in the mate…
The present study demonstrates the use of a transient multiphase flow model for the description of feed rod melting dynamics during the floating-zone silicon crystal growth process on a local scale. The presented numerical model is verified using a previously introduced analytical model of the thin…
The prediction of fuel blend properties is a critical aspect of the petroleum and renewable energy industries for ensuring product quality, meeting regulatory standards, and optimizing production processes. Traditional methods rely on expensive laboratory testing and time-consuming experimental pro…
We report a high-resolution spectroscopic analysis of the S1-S0 transition of magnesium phthalocyanine (MgPc), obtained by probing buffer-gas-cooled molecules with a narrow-linewidth laser. The observed spectrum exhibits a characteristic three-peak pattern, which is well reproduced by modeling MgPc…
Ring-stiffened cylindrical shells are widely used as load-bearing components in submarine pressure-hull sections. Existing underwater explosion studies have mainly emphasized incident-face denting or global failure, leaving unresolved how circumferential shock-wave diffraction and internal structur…
This paper introduces the concept of Molecular Causal Sufficiency (MCS), a theoretical framework designed to address the fundamental question of determining the minimum number of variables required to fully predict the future behavior of a chemical system. The core of the theory centers around the…
This paper proposes a novel framework for understanding chemical transformations based on the principle of Molecular Information Entropy Conservation. We introduce the concept of "Molecular Information" as a fundamental property inherent in molecules, distinct from mass, charge, and energy. The cor…
This paper introduces the Universal Reaction Compression (URC) theory, a novel approach to tackling the computational challenges inherent in simulating complex chemical reactions. The core principle of URC rests on the identification of a Minimal Reaction Basis (MRB) for any given reaction network,…