1,180 results match your criteria: "Institute of High Performance Computing[Affiliation]"

Although Pb-based metal halide perovskites (MHPs) have excellent photoelectric characteristics, their toxicity remains a limiting factor for their widespread application. In the paper, a series of CsCuClxBr3-x (x = 1, 2, 3) MHP microcrystals were developed and their hydrogen evolution performance in ethanol and HX (X = Cl, Br) was also studied. Among them, CsCuCl3 microcrystals exhibit high hydrogen evolution performance in both HX and ethanol, attributed to their longest average lifetime and suitable band structure.

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Inability to express the confidence level and detect unseen disease classes limits the clinical implementation of artificial intelligence in the real world. We develop a foundation model with uncertainty estimation (FMUE) to detect 16 retinal conditions on optical coherence tomography (OCT). In the internal test set, FMUE achieves a higher F1 score of 95.

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The full information about the interaction between a quantum emitter and an arbitrary electromagnetic environment is encoded in the so-called spectral density. We present an approach for describing such interaction in any coupling regime, providing a Lindblad-like master equation for the emitter dynamics when coupled to a general nanophotonic structure. Our framework is based on the splitting of the spectral density into two terms.

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2D Vertically Conductive Metal─Organic Framework Electrolytes: Will They Outperform 3D MOFs for Solid State Batteries?

Small

December 2024

Department of Physics and Tsinghua-Foxconn Nanotechnology Research Center, Tsinghua University, Beijing, 100084, P. R. China.

Lithium-ion batteries are currently the mainstream for almost all portables, and quickly expand in electrical vehicles and grid storage applications. However, they are challenged by the poor safety regarding organic liquid electrolytes and relatively low energy density. Solid-state batteries, characterized by using solid-state electrolytes (SSEs), are recognized as the next-generation energy technology, owing to their intrinsically high safety and potentially superior energy density.

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Fabry-Perot Resonances in Bilayer Metasurfaces.

Phys Rev Lett

November 2024

Institute of High-Performance Computing, Agency for Science, Technology, and Research (A-STAR), Fusionopolis, 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632, Singapore.

In this study, we construct Fabry-Perot cavities in which nanostructured, thin resonant metasurfaces act as mirrors. We develop a temporal coupled-mode theory and provide an accurate description of the resonances supported by these cavities, deriving analytically their transmission characteristics. The presence of metasurface mirrors introduces a substantial group delay, causing the field concentration to shift from the bulk of the cavity towards the regions close to the two metasurfaces.

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2D Conjugated Metal-Organic Frameworks for New Generation Flexible Multicolor Electrochromic Devices.

Adv Mater

December 2024

Department of Materials Science and Engineering, National University of Singapore, Singapore, 117574, Republic of Singapore.

There has been considerable interest in 2D conductive conjugated MOFs (2D c-MOFs) for their potential applications in sensors, opto-electronics, catalysis, and energy storage, owing to their ultra-high specific surface area, relatively high electrical conductivity, and tunable pore channel sizes for ion/charge diffusion/adsorption. The unique advantages brought by systematic tunings in the metal nodes and organic ligands enable the creation of highly accessible and remarkable structures with diverse chemical and physical behaviors. While the 2D c-MOFs are being explored for the rapid widening spectrum of applications, in this work, the great potential of multicolor transitions and functional properties of these 2D c-MOFs are examined for the new generation of flexible multicolor electrochromic devices (FMEDs).

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Purpose: To investigate local hemodynamic changes resulting from elevated intraocular pressure (IOP) in different vasculature networks using a computational fluid dynamics model based on 3D reconstructed confocal microscopic images.

Methods: Three-dimensional rat retinal vasculature was reconstructed from confocal microscopy images using a 3D U-Net-based labeling technique, followed by manual correction. We conducted a computational fluid dynamics (CFD) analysis on different retinal vasculature networks derived from a single rat.

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Impact of grain boundaries on the electronic properties and Schottky barrier height in MoS@Au heterojunctions.

Phys Chem Chem Phys

December 2024

Institute of High Performance Computing (IHPC), Agency for Science, Technology and Research (A*STAR), 1 Fusionopolis Way, #16-16 Connexis, Singapore, 138632, Republic of Singapore.

Using density functional theory (DFT) calculations we thoroughly explored the influence of grain boundaries (GBs) in monolayer MoS composed of S-polar (S5|7), Mo-polar (Mo5|7), and (4|8) edge dislocation, as well as an edge dislocation-double S vacancy complex (S4|6), and a dislocation-double S interstitial complex (S6|8), respectively, on the electronic properties of MoS and the Schottky barrier height (SBH) in MoS@Au heterojunctions. Our findings demonstrate that GBs formed by edge dislocations can significantly reduce the SBH in defect-free MoS, with the strongest effect for zigzag (4|8) GBs (-20% reduction) and the weakest for armchair (5|7) GBs (-10% reduction). In addition, a larger tilt angle in the GBs leads to a more pronounced decrease in the SBH, suggesting that the modulation of SBH in the MoS@Au heterostructure and analogous systems can be accomplished by GB engineering.

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Mechanics of elliptical interlocking sutures in biological interfaces.

Acta Biomater

December 2024

School of Mechanical and Aerospace Engineering, College of Engineering, Nanyang Technological University, Singapore 639798, Singapore; Mechano-X Institute, Applied Mechanics Laboratory, Department of Engineering Mechanics, Tsinghua University, Beijing 100084, PR China; Institute of High Performance Computing, A*STAR, Singapore 138632, Singapore. Electronic address:

Biological materials, such as beetle elytra and bird beaks, exhibit complex interfaces with diverse morphologies that have evolved to enhance their mechanical properties. However, the relationships between their geometric forms and mechanical properties remain inadequately understood. Here, we develop a theoretical model, supported by finite element simulations and experiments, to explore the strengthening and toughening mechanisms of biological interfaces characterized by elliptical interlocking sutures.

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Article Synopsis
  • - Federated learning (FL) is a method that enhances data privacy in healthcare collaborations, with roots in both engineering and statistics, and a need for better recognition of statistical privacy-preserving algorithms.
  • - The study compared seven FL frameworks from both domains, evaluating their performance using logistic regression and Lasso modeling on simulated and real-world data, revealing statistical FL algorithms yield less biased estimates while engineering methods can offer better predictions.
  • - The research highlights strengths and weaknesses of both FL methods, suggesting their selection based on specific study needs, and calls for increased awareness and integration of these techniques in future healthcare applications.
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Full-thickness macular holes are a relatively common and visually disabling condition with a prevalence of approximately 0.5% in the over-40-year-old age group. If left untreated, the hole typically enlarges, reducing visual acuity (VA) below the definition of blindness in the eye affected.

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A new device termed "Optomagnetic Micromirror Arrays" (OMA) is demonstrated capable of mapping the stiffness distribution of biomimetic materials across a 5.1 mm × 7.2 mm field of view with cellular resolution.

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Understanding consumer habits and practices of cosmetics and personal care products (PCP) is essential to generate realistic product exposure data for the safety assessment of ingredients such as fragrance materials. Product usages can vary across regions due to differences in cultural norms, seasonal and climate conditions, and the availability of different product forms, yet there is limited data published on cosmetics and PCP use outside of North America and Europe. This study reports the habits and practices of cosmetics and PCP (such as frequency and amount of use) in Singapore where participants (n = 494, aged 21-64 years) recorded their product usages and had their products weighed over a two-week period.

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Lithium sulfur batteries (LiSBs) represent a highly promising avenue for future energy storage systems, offering high energy density and eco-friendliness. However, the sluggish kinetics of the sulfur redox reaction (SRR) poses a significant challenge to their widespread applications. To tackle this challenge, we have developed an efficient heteronuclear dual-atom catalyst (hetero-DAC) that leverages surface charge polarization to enhance the asymmetric adsorption of sulfur intermediates.

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Tea/Coffee Sustainable Nanoarchitectures Purify Wastewater.

Nano Lett

December 2024

Department of Materials Science and Engineering, Stanford University, Stanford, California 94305, United States.

Transforming spent coffee grounds and tea residues into valuable hierarchical porous materials presents a sustainable solution for environmental remediation due to the low cost, extensive availability, and versatile functionalized interface. Here, we systematically investigated tea polyphenol-mediated morphological transformation of spent coffee grounds to the synthesis of three-dimensional (3D) mesoporous metal-organic framework (MOF)-derived nanoarchitectured carbon composites. We adopted the sustainable cost-effective tea-coffee derivative to remove typical marine micropollutants, such as antibiotic wastewater, radioactive pollutants, and microplastics.

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Unidirectional Chiral Emission via Twisted Bi-layer Metasurfaces.

Nat Commun

November 2024

Science, Mathematics, and Technology (SMT), Singapore University of Technology and Design (SUTD), 8 Somapah Road, Singapore, 487372, Singapore.

Controlling and channeling light emissions from unpolarized quantum dots into specific directions with chiral polarization remains a key challenge in modern photonics. Stacked metasurface designs offer a potential compact solution for chirality and directionality engineering. However, experimental observations of directional chiral radiation from resonant metasurfaces with quantum emitters remain obscure.

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Sulfurized Composite Interphase Enables a Highly Reversible Zn Anode.

Angew Chem Int Ed Engl

November 2024

State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, School of Materials Science and Engineering, Wuhan University of Technology, Wuhan, 430070, China.

The stability and reversibility of Zn anode can be greatly improved by in situ construction of solid electrolyte interphase (SEI) on Zn surface via a low-cost design strategy of ZnSO electrolyte. However, the role of hydrogen bond acceptor -SO accompanying ZnS formation during SEI reconstruction is overlooked. In this work, we have explored and revealed the new role of -SO and ZnS in the in situ formed sulfide composite SEI (SCSEI) on Zn anode electrochemistry in ZnSO aqueous electrolytes.

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Nanoscale Identification of Local Strain Effect on TMD Catalysis.

J Am Chem Soc

November 2024

School of Materials Science and Engineering, Nanyang Technological University, 639798 Singapore.

Strain engineering plays a crucial role in activating the basal plane of the TMD catalysts. However, experimental evidence linking strain strength to activity and distinguishing effects of compressive and tensile strain remains elusive due to the absence of high-resolution correlation techniques. Here, we utilize nanobubble imaging by on-chip total-internal reflection microscopy to visualize active sites on the basal plane of strained MoS during hydrogen evolution reaction and atomic force microscopy to correlatively capture the nanoscale morphology and strain maps.

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Machine Learning-Assisted Bayesian Optimization for the Discovery of Effective Additives for Dendrite Suppression in Lithium Metal Batteries.

ACS Appl Mater Interfaces

November 2024

Institute of High Performance Computing (IHPC), Agency for Science, Technology and Research (A*STAR), 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632, Republic of Singapore.

In the pursuit of enhancing the performance and safety of lithium (Li)-metal batteries, the discovery of effective electrolyte additives to suppress Li dendrites has emerged as a paramount objective. In this study, we employ an inverse design strategy to identify potential additives for dendrite mitigation. Two key mechanisms, namely, the formation of robust solid electrolyte interphase layers and the leveling mechanism, serve as the foundation for our investigation.

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Article Synopsis
  • The study aimed to establish normal measurements for anterior segment optical coherence tomography (ASOCT) to improve its clinical use in detecting primary angle closure disease (PACD).
  • It included 2157 eyes from the Singapore Chinese Eye Study, excluding those with previous eye surgeries, where a deep-learning algorithm assessed various anterior chamber measurements.
  • Findings showed that anterior chamber depth and width decreased with age and were smaller in females, while lens vault increased; specific percentile cut-offs were identified as effective indicators for detecting PACD.
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Contributions of subjective status to eating behaviors, obesity, and metabolic health across development.

Appetite

January 2025

Institute of High Performance Computing (IHPC), Agency for Science, Technology and Research (A∗STAR), 1 Fusionopolis Way, #16-16 Connexis, 138632, Republic of Singapore; Institute of Human Development and Potential (IHDP), Agency for Science, Technology and Research (A∗STAR), 30 Medical Drive, Brenner Centre for Molecular Medicine, 117609, Republic of Singapore.

Subjective status is the evaluation of one's social or socioeconomic status relative to others. Lower subjective status has been associated with risk of overweight/obesity, poorer metabolic health, and obesogenic food preferences and eating behaviors. However, these findings are predominantly based on studies of adolescents and young adults.

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Toward waterproof magnesium metal anodes by uncovering water-induced passivation and drawing water-tolerant interphases.

Nat Commun

October 2024

Institute of Materials Research and Engineering (IMRE), Agency for Science, Technology and Research (A*STAR), 2 Fusionopolis Way, Innovis #08-03, Singapore, 138634, Republic of Singapore.

Magnesium (Mg) metal is a promising anode candidate for high-energy and cost-effective multivalent metal batteries, but suffers from severe surface passivation in conventional electrolytes, especially aqueous solutions. Here, we uncover that MgH, in addition to the well-known MgO and Mg(OH), can be formed during the passivation of Mg by water. The formation mechanism and spatial distribution of MgH, and its detrimental effect on interfacial dynamics and stability of Mg anode are revealed by comprehensive experimental and theoretical investigations.

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Article Synopsis
  • BiS (bismuth sulfide) with a 2D structure is gaining attention for its excellent conductivity, high absorption coefficient, and eco-friendliness, making it suitable for optoelectronic devices.
  • The study demonstrates a quick method to create bismuth sulfide thin films with different intrinsic defects, specifically sulfur vacancies (LA-BiS) and oxygen passivated (AP-BiS).
  • Results show that LA-BiS photodetectors have high responsivities and detectivities, while AP-BiS devices excel in speedy on/off performance, showcasing the potential of defect tuning for enhanced device capabilities.
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Predicting the Antifungal Activity of Small Organic Compounds on Mold using Molecular Dynamics Simulations.

J Phys Chem B

November 2024

Agency for Science, Technology and Research (A*STAR), Institute of High Performance Computing (IHPC), 1 Fusionopolis Way, #16-16, Connexis, Singapore138632, Singapore.

Atomistic models of the plasma membrane of the pathogenic mold are developed. These models are described with an empirical molecular mechanical (MM) force field in combination with molecular dynamics (MD) simulations. The solvated plasma membrane models are brought into contact with 35 small organic compounds to observe their impact on a variety of membrane properties.

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Early detection of dementia through retinal imaging and trustworthy AI.

NPJ Digit Med

October 2024

Laboratory of Advanced Theranostic Materials and Technology, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo, China.

Alzheimer's disease (AD) is a global healthcare challenge lacking a simple and affordable detection method. We propose a novel deep learning framework, Eye-AD, to detect Early-onset Alzheimer's Disease (EOAD) and Mild Cognitive Impairment (MCI) using OCTA images of retinal microvasculature and choriocapillaris. Eye-AD employs a multilevel graph representation to analyze intra- and inter-instance relationships in retinal layers.

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