Results 121 to 130 of about 889,165 (240)
Hamiltonian Cycles in Graphs on a Torus
, 2022 Let G be a graph embedded on a surface S. Each cycle in G is an element of a homotopy class of simple closed curves on S. We consider the distribution of Hamiltonian cycles among homotopy classes of curves in the case where S is a torus and G is the edge
Chen, Shijing, Rongley, Rogan
core
Accelerating Materials Discovery: A Review of Machine Learning in X‐Ray Absorption Spectroscopy
Advanced Intelligent Systems, EarlyView.This review systematically details how machine learning transforms X‐ray absorption spectroscopy (XAS) analysis. It covers advanced deep learning architectures for structure‐spectra mapping and inverse tasks, while discussing key challenges like the simulation‐to‐reality gap.
Melaku Lake Tegegne +5 more
wiley +1 more source
X‐ray magnetic circular dichroism
Major Reference Works, Page 508-515., 2022 International Tables for Crystallography is the definitive resource and reference work for crystallography and structural science.
Each of the eight volumes in the series contains articles and tables of data relevant to crystallographic research and to applications of crystallographic methods in all sciences concerned with the ...
Gerrit van der Laan C. Chantler +2 more
wiley +1 more source
Computing Permanents and Counting Hamiltonian Cycles Faster
, 2023 We show that the permanent of an $n\times n$ matrix of $\operatorname{poly}(n)$-bit integers and the number of Hamiltonian cycles of an $n$-vertex graph can both be computed in time $2^{n-\Omega(\sqrt{n})}$, improving an earlier algorithm of Bj\"orklund,
Li, Baitian
core
Carbon Energy, EarlyView.A dual‐phase flash Joule heating strategy converts pre‐pyrolyzed biomass into structurally tunable carbon materials from waste feedstocks. By decoupling current‐driven thermodynamic input and duration‐dependent kinetic relaxation, the process maps the transition from amorphous carbon to few‐layer turbostratic graphene and turbostratic nanographite ...
Jiawen Zeng +9 more
wiley +1 more source
Hamiltonian Cycles in Circulant Quartic Graphs
, 2023 We study the number of Hamiltonian cycles in two families of graphs in which each vertex has degree 4. Within each family, we separate groups of cycles based on their winding numbers, and we are able to calculate either explicit or recursive formulas ...
Palmer, John
core
Carbon Energy, EarlyView.Elongation (ELG) method for calculating the electronic structures of aperiodic polymers was combined with dissipative particle dynamics (DPD) simulation to perform more reliable simulations using quantum chemistry (QC)‐based parameters. The method was employed to analyze phase separation in an amine‐containing CO2 capture membrane, and the results ...
Yuuichi Orimoto, Yuriko Aoki
wiley +1 more source
On disjoint hamiltonian cycles in bipartite graphs
, 2014 This paper is an exposition about the article written by Ferrara, Gould, Tansey and Whalen entitled Disjoint hamiltonian cycles in bipartite graphs which appeared on Discrete Mathematics vol. 309 (2009).
Enriquez, Juan Carlos V. +1 more
core
Chemistry – A European Journal, EarlyView.Unlocking the chemistry of caramel by simulations and experimental validation. αFFase1${\alpha }\rm{FFase1}$ converts inulobiose into difructose dianhydride I, one component of caramel, through two steps: a rate‐limiting glycosylation (with a rare sugar ring flip) followed by a cyclization step, guided by residues E85, K147, and N226.
Santiago Alonso‐Gil +7 more
wiley +1 more source
Chemistry – A European Journal, EarlyView.A Pt(II) bis(NHC) complex is immobilized on mesoporous silica through directional F–Si interactions encoded in the ligand framework. Quantitative 19F{29Si} REDOR experiments and molecular dynamics simulations establish Å‐scale catalyst–support contacts and define the interfacial organization.
Alexander Bergen +10 more
wiley +1 more source