Eastern Institute of Technology

Beyond Co-Localization: DeepCoEx Learns Exclusion-Aware Spatial Representations in Mass Spectrometry Imaging via Dual-Contrastive Learning

Abstract Mass spectrometry imaging (MSI) provides spatially resolved molecular profiles, yet the existing computational workflows are heavily biased toward co-localization and remain limited in characterizing exclusion-like spatial relationships, especially when reliable negative...

Atomic Site-Specific Eigenstrain for Efficient Electrocatalysis

Abstract Strain engineering is a powerful approach to tailoring the performance of metal electrocatalysts. Despite substantial advancements in controlling the average surface strain and establishing its correlation with catalytic activity, the impact of strain at individual activ...

How Ions Reshape the Infrared Spectra of Aqueous NaCl

Abstract Infrared (IR) spectroscopy probes the hydrogen-bond structure of electrolyte solutions, yet relating spectra to molecular mechanisms is challenging. We combine machine-learning molecular dynamics with a deep Wannier model to compute concentration-dependent IR spectra of...

Suppressing Catalyst Reconstruction via Electric-Field-Enhanced Cu–Sn Alloying for Stable CO2 Electroreduction

Abstract The electrochemical reduction of carbon dioxide (CO2RR) on copper (Cu) catalysts holds great promise for the sustainable production of value-added carbonaceous chemicals and fuels. However, these Cu nanostructures suffer from severe surface reconstruction due to Cu’s oxi...

Interplay of Lattice Distortion and Cation Disorder Governs Li-Ion Transport in Cation-Disordered Rocksalt Cathodes

Abstract Cation-disordered solids provide a chemically complex landscape in which local environments, lattice responses, and configurational disorder collectively influence ion transport. In cation-disordered rocksalt cathodes, Li+ diffusion has traditionally been interpreted usi...

NHC-Catalyzed Asymmetric [4 + 2] Annulation of 2-Methylindole-3-Carbaldehydes to Spiro Indole-Fused Heterocycles

Abstract Indole-fused heterocyclic compounds play a crucial role in drug development. Cycloaddition reactions represent an effective strategy for the construction of such compounds. While indole derivatives often serve as C3 synthons in these reactions, there are relatively few e...

Validity of the twin-force analogy in Couette flows

This study combines linear stability analysis (LSA) and direct numerical simulations (DNS) to investigate the coupling mechanisms of rotation, stratification and shear in two flow geometries: spanwise rotating stratified plane Couette flow (between two infinite parallel plates) a...

Photon-Induced Modulationof Reaction Pathways inRuthenium Homologous Heteroclusters with a Ruδ+-Ru0 Interface for Photothermal Dry Reforming of Methane

Abstract Photothermal dry reforming of methane (PDRM) is a promising technology for mitigating greenhouse gas (CH4 and CO2) emissions and generating syngas under mild conditions. However, it faces challenges from the catalyst deactivation because of carbon deposition and unbalanc...

Photochemical Impactsfrom Resolving Isomers and InterferenceBiases in PTR-ToF-MS Measurements of Atmospheric VOCs

Abstract While proton-transfer-reaction time-of-flight mass spectrometry (PTR-ToF-MS) is widely used for ambient volatile organic compounds (VOCs) quantification, its accuracy is limited by isomeric speciation and ionization byproducts. Here, gas chromatography (GC) coupled with...

SkipOPU: An FPGA-based Overlay Processor for Large Language Models with Dynamically Allocated Computation

Large language models (LLMs), particularly decoder-only models with auto-regressive decoding, have achieved remarkable performance across a wide range of tasks, but their inference efficiency remains a critical bottleneck due to rapidly growing parameters and memory-bound generat...