Zobrazeno 1 - 10
of 474
pro vyhledávání: '"92e10"'
We introduce, for the first time, a cohomology-based Gromov-Hausdorff ultrametric method to analyze 1-dimensional and higher-dimensional (co)homology groups, focusing on loops, voids, and higher-dimensional cavity structures in simplicial complexes,
Externí odkaz:
http://arxiv.org/abs/2411.13887
Energy-based fragmentation methods approximate the potential energy of a molecular system as a sum of contribution terms built from the energies of particular subsystems. Some such methods reduce to truncations of the many-body expansion (MBE); other
Externí odkaz:
http://arxiv.org/abs/2411.12467
In this paper, we examine roots of graph polynomials where those roots can be considered as structural graph measures. More precisely, we prove analytical results for the roots of certain modified graph polynomials and also discuss numerical results.
Externí odkaz:
http://arxiv.org/abs/2411.05513
Fullerenes are hollow carbon molecules where each atom is connected to exactly three other atoms, arranged in pentagonal and hexagonal rings. Mathematically, they can be combinatorially modeled as planar, 3-regular graphs with facets composed only of
Externí odkaz:
http://arxiv.org/abs/2410.19322
Autor:
Liberti, Leo
The Buckminsterfullerene is an inorganic molecule consisting of 60 carbon atoms in the shape of a soccer ball. It was used in [Juhas et al., Nature 2006] to showcase algorithms that find the correct shape of a protein from limited data (length of int
Externí odkaz:
http://arxiv.org/abs/2410.16470
Hydrocarbon pyrolysis is a complex chemical reaction system at extreme temperature and pressure conditions involving large numbers of chemical reactions and chemical species. Only two kinds of atoms are involved: carbons and hydrogens. Its effective
Externí odkaz:
http://arxiv.org/abs/2409.19141
Suppose we have an embedding of a graph $\mathbf{G}$ created by subdividing the edges of a simpler graph $\mathbf{G'}$. The edges of $\mathbf{G}$ can be divided into subsets which join pairs of ``junction'' vertices in $\mathbf{G'}$. The displacement
Externí odkaz:
http://arxiv.org/abs/2409.18767
Autor:
Edelsbrunner, Herbert, Heiss, Teresa
Motivated by applications to crystalline materials, we generalize the merge tree and the related barcode of a filtered complex to the periodic setting in Euclidean space. They are invariant under isometries, changing bases, and indeed changing lattic
Externí odkaz:
http://arxiv.org/abs/2408.16575
Autor:
Ashworth, Jacob, Grossmann, Luca, Navarro, Fausto, Almodovar, Leyda, Harsy, Amanda, Johnson, Cory, Sorrells, Jessica
Recent advancements in microbiology have motivated the study of the production of nanostructures with applications such as biomedical computing and molecular robotics. One way to construct these structures is to construct branched DNA molecules that
Externí odkaz:
http://arxiv.org/abs/2408.00192
The ionization potential (IP) is an important parameter providing essential insights into the reactivity of chemical systems. IPs are also crucial for designing, optimizing, and understanding the functionality of modern technological devices. We rece
Externí odkaz:
http://arxiv.org/abs/2402.06496