Results 81 to 90 of about 1,982,910 (295)
Exact and approximate algorithms for computing a second hamiltonian cycle [PDF]
, 2020 In this paper we consider the following total functional problem: Given a cubic Hamiltonian graph G and a Hamiltonian cycle C0 of G, how can we compute a second Hamiltonian cycle C1 ≠ C0 of G?
Spirakis, P.G. +11 more
core +1 more source
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
Oriented Hamiltonian Cycles in Tournaments
Journal of Combinatorial Theory, Series B, 2000 zbMATH Open Web Interface contents unavailable due to conflicting licenses.
openaire +3 more sources
Advanced Science, EarlyView.Multiferroic order parameters – polarization, magnetization, and ferroelastic strain – are positioned as dynamic design variables for batteries. Their mechanistic roles, practical tuning through fabrication and external fields, and ferroic‐resolved characterization routes are unified into a closed‐loop framework, revealing how coupled ferroic responses
Jiaqi Su +13 more
wiley +1 more source
Hamiltonian cycle clustering with asymmetric correlation
Visual InformaticsAnalysts who explore high-dimensional data usually want three answers at once: Which samples belong together, how close the resulting groups are, and who influences whom accordingly.
Tianyi Huang +2 more
doaj +1 more source
Polarization Dynamics in Ferroelectrics: Insights Enabled by Machine Learning Molecular Dynamics
Advanced Science, EarlyView.Machine learning molecular dynamics is presented as a route to capture polarization switching, domain wall kinetics, topological polar textures, and polar mechanical coupling beyond the limits of conventional atomistic methods. This Perspective surveys recent progress and identifies key methodological directions, including long‐range electrostatics ...
Dongyu Bai +3 more
wiley +1 more source
Another Hamiltonian Cycle in Bipartite Pfaffian Graphs [PDF]
Finding a Hamiltonian cycle in a given graph is computationally challenging, and in general remains so even when one is further given one Hamiltonian cycle in the graph and asked to find another.
Puppis, Gabriele +8 more
core +4 more sources
On the Hamiltonian Number of a Plane Graph
Discussiones Mathematicae Graph Theory, 2019 The Hamiltonian number of a connected graph is the minimum of the lengths of the closed spanning walks in the graph. In 1968, Grinberg published a necessary condition for the existence of a Hamiltonian cycle in a plane graph, formulated in terms of the ...
Lewis Thomas M.
doaj +1 more source
Change in Hamiltonian General Relativity from the Lack of a Time-like Killing Vector Field [PDF]
, 2013 In General Relativity in Hamiltonian form, change has seemed to be missing, defined only asymptotically, or otherwise obscured at best, because the Hamiltonian is a sum of first-class constraints and a boundary term and thus supposedly generates gauge ...
Pitts, J. Brian, J. Brian Pitts
core
Emergent 3D Fermiology and Magnetism in an Intercalated Van der Waals System
Advanced Science, EarlyView.An emergent three‐dimensional electronic state is uncovered in an intercalated van der Waals system. A spin‐polarized intercalant‐host hybridized band crossing the Fermi level provides an itinerant channel for interlayer exchange, highlighting how electronic dispersion governs magnetic dimensionality.
Luigi Camerano +18 more
wiley +1 more source