A large atomic partition model for materials discovery

L Miao, X Yuan, C Tang, C Chen, E Gao - Extreme Mechanics Letters, 2024 - Elsevier
Accurate and efficient prediction of benchmark properties is essential to the discovery of
diverse functional materials, but searching vast element combinatorial and bonding …

From Mesh to Neural Nets: A Multi-Method Evaluation of Physics-Informed Neural Networks and Galerkin Finite Element Method for Solving Nonlinear Convection …

F Hasan, H Ali, HA Arief - arxiv preprint arxiv:2411.09704, 2024 - arxiv.org
Non-linear convection-reaction-diffusion (CRD) partial differential equations (PDEs) are
crucial for modeling complex phenomena in fields such as biology, ecology, population …

A Mathematical Aspect of Bloch's Theorem

Y Li, B Yang, A Zhou - Physica Scripta, 2024 - iopscience.iop.org
In this paper, by studying a class of 1-D Sturm-Liouville problems with periodic coefficients,
we show and classify the solutions of periodic Schrödinger equations in a multidimensional …

Spectral Methods for Fractional Differential Equations

S Sadiq - 2024 - repositories.nust.edu.pk
The mathematical analysis and solution of fractional differential equations are like a bridge
connecting physical assumptions and concepts with interpretations, effects and conclusions …

Optimization of the richardson integration over fluctuations of its step sizes

BN Tiwari, AAM Chathurika - Cogent Mathematics & Statistics, 2019 - Taylor & Francis
In this paper, we examine the optimization of Richardson numerical integration of an
arbitrary real valued function in the space of step sizes. Namely, as one of the most efficient …

Implementace kvantově-mechanických výpočtů elektronové struktury a vlastností neperiodických materiálových struktur

M Novák - 2021 - otik.uk.zcu.cz
A new ab-inito method and the related computer code has been developed within this work---
in accordance with its aims---for calculating electronic states and structural properties of …

Analytical and Numerical Aspects of Porous Media Flow

LC Blank - 2020 - refubium.fu-berlin.de
The Brinkman equations model fluid flow through porous media and are particularly
interesting in regimes where viscous shear effects cannot be neglected. Two model …