Results 71 to 80 of about 48,454 (295)

Laplacian Distribution and Domination [PDF]

Graphs and Combinatorics, 2017
Let $m_G(I)$ denote the number of Laplacian eigenvalues of a graph $G$ in an interval $I$, and let $ (G)$ denote its domination number. We extend the recent result $m_G[0,1) \leq (G)$, and show that isolate-free graphs also satisfy $ (G) \leq m_G[2,n]$.
Domingos M. Cardoso, David P. Jacobs, Vilmar Trevisan   +2 more
openaire   +4 more sources

GED‐CRN Breaks the Data Barrier: High‐Fidelity Electron Density Prediction Using Only 19 Training Molecules

Aggregate, EarlyView.
GED‐CRN: A Machine Learning Framework for Predicting Electron Density Distributions from Molecular Geometries via a Cube‐Sampling Approach. ABSTRACT We present GED‐CRN, a 3D convolutional residual network that achieves quantum‐chemical accuracy (MAE =7.6×10−4$= 7.6 \times 10^{-4}$ bohr−3${\rm bohr}^{-3}$) in predicting electron densities for AIE‐active
Junyi Gong, Haoran Wang, Zijie Qiu, Zheng Zhao, Ben Zhong Tang   +4 more
wiley   +1 more source

C(sp2)─H Bond Activation with a Heterometallic Nickel–Aluminium Complex

Angewandte Chemie, EarlyView.
Despite the prevalence of Ni/Al catalysts for pyridine C─H functionalization, mechanistic details of such systems remain scarce. Herein, we present the discovery of PCy3‐catalyzed bond‐breaking and making processes that occur in the coordination sphere of a novel Ni─Al heterometallic complex.
Joseph A. Zurakowski, Benedek Stadler, Marcus W. Drover, Mark R. Crimmin   +3 more
wiley   +2 more sources

Laplacian energy and first Zagreb index of Laplacian integral graphs

Analele Stiintifice ale Universitatii Ovidius Constanta: Seria Matematica, 2022
The set Si,n = {0, 1, 2, …, i − 1, i + 1, …, n − 1, n}, 1 ⩽ i ⩽ n, is called Laplacian realizable if there exists a simple connected undirected graph whose Laplacian spectrum is Si,n. The existence of such graphs was established by S. Fallat et all.
Hameed Abdul, Khan Zia Ullah, Tyaglov Mikhail   +2 more
doaj   +1 more source

Maximum Principles for Laplacian and Fractional Laplacian with Critical Integrability

The Journal of Geometric Analysis, 2023
In this paper, we study maximum principles for Laplacian and fractional Laplacian with critical integrability. We first consider the critical cases for Laplacian with zero order term and first order term. It is well known that for the Laplacian with zero order term $-Δ+c(x)$ in $B_1$, $c(x)\in L^p(B_1)$($B_1\subset \mathbf{R}^n$), the critical case for
Congming Li, Yingshu Lü
openaire   +2 more sources

Feature Selection for Machine Learning‐Driven Accelerated Discovery and Optimization in Emerging Photovoltaics: A Review

Advanced Intelligent Discovery, EarlyView.
Feature selection combined with machine learning and high‐throughput experimentation enables efficient handling of high‐dimensional datasets in emerging photovoltaics. This approach accelerates material discovery, improves process optimization, and strengthens stability prediction, while overcoming challenges in data quality and model scalability to ...
Jiyun Zhang, Jiayi Tan, Qizhen Song, Tian Du, Jens Hauch, Christoph J. Brabec   +5 more
wiley   +1 more source

Single‐Step Insertion of Organic Sulfur Into a Fe6C Carbide Carbonyl Cluster, Including the Natural Amino Acid L‐Cysteine: Vibrational Circular Dichroism and Chirality Transfer

Angewandte Chemie, EarlyView.
We describe a one‐pot synthetic procedure for the functionalization with organosulfur ligands of hexa‐iron carbide carbonyl clusters. This synthetic procedure is highly versatile and may be applied to alkyl, aryl, and functionalized organic sulfur reagents, including the chiral amino acids L‐ and D‐cysteine.
Francesca Forti, Andrea Pellegrini, Cristiana Cesari, Cristina Femoni, Maria Carmela Iapalucci, Michele Mancinelli, Stefano Zacchini   +6 more
wiley   +2 more sources

Laplacian, on the Arrowhead Curve

Proceedings of the International Geometry Center, 2020
In terms of analysis on fractals, the Sierpinski gasket stands out as one of the most studied example. The underlying aim of those studies is to determine a differential operator equivalent to the classic Laplacian. The classically adopted approach is a bidimensional one, through a sequence of so-called prefractals, i.e.
openaire   +3 more sources

Deep Learning Prediction of Surface Roughness in Multi‐Stage Microneedle Fabrication: A Long Short‐Term Memory‐Recurrent Neural Network Approach

Advanced Intelligent Discovery, EarlyView.
A sequential deep learning framework is developed to model surface roughness progression in multi‐stage microneedle fabrication. Using real‐world experimental data from 3D printing, molding, and casting stages, an long short‐term memory‐based recurrent neural network captures the cumulative influence of geometric parameters and intermediate outputs ...
Abdollah Ahmadpour, Sara Soltanabadi Farshi, Tuanna Ozcan, Amir Mohammad Ketabchi, Alper Kiraz, Savas Tasoglu   +5 more
wiley   +1 more source

Stochastic Laplacian growth [PDF]

Physical Review E, 2016
A point source on a plane constantly emits particles which rapidly diffuse and then stick to a growing cluster. The growth probability of a cluster is presented as a sum over all possible scenarios leading to the same final shape. The classical point for the action, defined as a minus logarithm of the growth probability, describes the most probable ...
Oleg Alekseev, Mark Mineev-Weinstein
openaire   +4 more sources