Results 51 to 60 of about 9,569,640 (309)
Impact of graph energy on a measurement of resilience for tipping points in complex systems
Systems EngineeringSocieties depend on various complex and highly interconnected systems, leading to increasing interest in methods for managing the resilience of these complex systems and the risks associated with their disruption or failure.
Christine M. Edwards +2 more
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Fast evaluation of the adsorption energy of organic molecules on metals via graph neural networks
Nature Computational Science, 2023 Modeling in heterogeneous catalysis requires the extensive evaluation of the energy of molecules adsorbed on surfaces. This is done via density functional theory but for large organic molecules it requires enormous computational time, compromising the ...
Sergio Pablo‐García +6 more
semanticscholar +1 more source
Remarks on the energy of regular graphs
, 2016 The energy of a graph is the sum of the absolute values of the eigenvalues of its adjacency matrix. This note is about the energy of regular graphs. It is shown that graphs that are close to regular can be made regular with a negligible change of the ...
Nikiforov, V.
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Mathematical Notes, 2006 In the present paper we introduce Mobius energy for the embedded graphs and formulate its main properties. This energy is invariant under the action of the group generated by all inversions in three-dimensional real space. We study critical configurations for the angles at vertices of degree less than five, and discuss the techniques of construction of
openaire +3 more sources
Defect graph neural networks for materials discovery in high-temperature clean-energy applications
Nature Computational Science, 2023 We present a graph neural network approach that fully automates the prediction of defect formation enthalpies for any crystallographic site from the ideal crystal structure, without the need to create defected atomic structure models as input.
M. Witman +4 more
semanticscholar +1 more source
Lamplighter graphs do not admit harmonic functions of finite energy
, 2009 We prove that a lamplighter graph of a locally finite graph over a finite graph does not admit a non-constant harmonic function of finite Dirichlet ...
Georgakopoulos, Agelos
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Spectral threshold dominance, Brouwer's conjecture and maximality of Laplacian energy [PDF]
, 2015 The Laplacian energy of a graph is the sum of the distances of the eigenvalues of the Laplacian matrix of the graph to the graph's average degree. The maximum Laplacian energy over all graphs on $n$ nodes and $m$ edges is conjectured to be attained for ...
Helmberg, Christoph, Trevisan, Vilmar
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Heterotic-string amplitudes at one loop: modular graph forms and relations to open strings [PDF]
, 2019 We investigate one-loop four-point scattering of non-abelian gauge bosons in heterotic string theory and identify new connections with the corresponding open-string amplitude.
Gerken, Jan E. +2 more
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Journal of Physics: Conference Series, 2022 Abstract Adjacency matrix A(G)=[aij] yields the graph energy, which is equal to the addition of absolute values of the eigenvalues G. This research investigates the energy graph class in terms of another graph class after removing a vertex. After deleting a vertex, a relationship between the energy of a complete graph E[kn
Sangeetha G, J Kavitha
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Improved RNA pseudoknots prediction and classification using a new topological invariant [PDF]
, 2016 We propose a new topological characterization of RNA secondary structures with pseudoknots based on two topological invariants. Starting from the classic arc-representation of RNA secondary structures, we consider a model that couples both I) the ...
Orland, Henri +2 more
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