Results 71 to 80 of about 382 (214)
Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks
Advanced Science, EarlyView.A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu +5 more
wiley +1 more source
Local properties of graphs that induce global cycle properties [PDF]
Opuscula MathematicaA graph \(G\) is locally Hamiltonian if \(G[N(v)]\) is Hamiltonian for every vertex \(v\in V(G)\). In this note, we prove that every locally Hamiltonian graph with maximum degree at least \(|V(G)| - 7\) is weakly pancyclic.
Yanyan Wang, Xiaojing Yang
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2-Connected Hamiltonian Claw-Free Graphs Involving Degree Sum of Adjacent Vertices
Discussiones Mathematicae Graph Theory, 2020 For a graph H, define σ¯2(H)=min{d(u)+d(v)|uv∈E(H)}{{\bar \sigma }_2} ( H ) = \min \left\{ {d ( u ) + d ( v )|uv \in E ( H )} \right\} . Let H be a 2-connected claw-free simple graph of order n with δ(H) ≥ 3. In [J. Graph Theory 86 (2017) 193–212], Chen
Tian Tao, Xiong Liming
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On hamiltonian chain saturated uniform hypergraphs [PDF]
Discrete Mathematics & Theoretical Computer Science, 2012 Graphs and ...
Aneta Dudek, Andrzej Zak
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Advanced Science, EarlyView.This review critically examines thermal transport and radiative properties of ultra‐high temperature ceramics for hypersonic flight, advanced nuclear systems, and next‐generation energy conversion devices. It explores phonon–photon–electron interactions, microstructural engineering, thermoelectric conversion, and machine learning‐accelerated multiscale
Zhipeng Pei +8 more
wiley +1 more source
Discussiones Mathematicae Graph Theory, 2020 Let S = (a1,. . . , am; b1, . . . , bn), where a1, . . . , am and b1, . . . , bn are two sequences of nonnegative integers. We say that S is a bigraphic pair if there exists a simple bipartite graph G with partite sets {x1, x2, . . . , xm} and {y1, y2, .
Yin Jian-Hua, Li Sha-Sha
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On Hamiltonian alternating cycles and paths
Computational Geometry, 2018 We undertake a study on computing Hamiltonian alternating cycles and paths on bicolored point sets. This has been an intensively studied problem, not always with a solution, when the paths and cycles are also required to be plane. In this paper, we relax the constraint on the cycles and paths from being plane to being 1-plane, and deal with the same ...
Mercè Claverol +4 more
openaire +7 more sources
Quantum Photothermal Self‐Monitoring Fiber Probes for In Vivo Photothermal Therapy
Advanced Science, EarlyView.A miniaturized quantum photothermal fiber probe based on a metal/polymer/glass composite optoelectronic fiber that simultaneously guides lightwave and microwave was developed for the first time. The probe achieves enhanced photothermal conversion (13°C/mW, 25°C–120°C range) while providing real‐time self‐monitoring with 0.2°C thermal resolution at the ...
Wanjun Li +12 more
wiley +1 more source
Advanced Science, EarlyView.Five‐coordinate, square‐pyramidal Fe(II) complexes adopting polar, non‐centrosymmetric crystal structures exhibit exceptionally large easy‐axis magnetic anisotropy. Ligand‐driven distortions critically control the anisotropy, and the dielectric, Polarization vs Elecric field and piezo response studies confirm intrinsic polarization, positioning these ...
Vijaya Thangaraj +6 more
wiley +1 more source