Results 91 to 100 of about 382,986 (293)

Comparison of DeePMD, MTP, GAP, ACE and MACE Machine‐Learned Potentials for Radiation‐Damage Simulations: A User Perspective

open access: yesAdvanced Intelligent Discovery, EarlyView.
The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy   +8 more
wiley   +1 more source

Orthogonal polynomials [PDF]

open access: yes, 2012
This thesis will show work on Orthogonal Polynomials. In mathematics, the type of polynomials that are orthogonal to each other under inner product are called orthogonal polynomials.
Antashyan, George Gevork
core   +4 more sources

Harnessing Machine Learning to Understand and Design Disordered Solids

open access: yesAdvanced Intelligent Discovery, EarlyView.
This review maps the dynamic evolution of machine learning in disordered solids, from structural representations to generative modeling. It explores how deep learning and model explainability transform property prediction into profound physical insight.
Muchen Wang, Yue Fan
wiley   +1 more source

Fractional-Order Orthogonal Jacobi Function-Based Operational Approach for Multi-Term Diffusion-Wave Equations of Fractional Order

open access: yesFractal and Fractional
Solving fractional differential equations using spectral collocation methods based on classical orthogonal polynomials often leads to a reduced convergence rate due to the limited regularity of the solutions.
Amal Alshabanat   +3 more
doaj   +1 more source

In Situ Contact Angle Measurement for Autonomous Spin Coating in Self‐Driving Labs

open access: yesAdvanced Intelligent Discovery, EarlyView.
A vision‐based add‐on transforms commercial spin coaters into autonomous modules of Self‐Driving Labs. Combining a width‐scaled U‐Net with classical geometric analysis, the system simultaneously measures contact angles and estimates substrate pose using a single camera.
Sven Fischer, Micha Hiegle, Holger Röhm
wiley   +1 more source

Design, Control, and Clinical Applications of Magnetic Actuation Systems: Challenges and Opportunities

open access: yesAdvanced Intelligent Systems, Volume 7, Issue 3, March 2025.
This review aims to provide a broad understanding for interdisciplinary researchers in engineering and clinical applications. It addresses the development and control of magnetic actuation systems (MASs) in clinical surgeries and their revolutionary effects in multiple clinical applications.
Yingxin Huo   +3 more
wiley   +1 more source

Complementary Romanovski-Routh polynomials and their zeros

open access: yesTrends in Computational and Applied Mathematics
The efficacy of numerical methods like integral estimates via Gaussian quadrature formulas depends on the localization of the zeros of the associated family of orthogonal polynomials.
L. L. Silva Ribeiro   +2 more
doaj   +1 more source

Studies on the Method of Orthogonal Collocation III. The Use of Jacobi Orthogonal Polynomials for the Solution of Boundary Value Problems

open access: yesJournal of King Saud University: Engineering Sciences, 1999
Previous work identified the kind of Jocobi polynomials suitable to solve boundary value problems of the diffusion type in a slab, cylinder or sphere.
Mostafa Ali Soliman, A.A. Ibrahim
doaj   +1 more source

Matrix interpretation of multiple orthogonality [PDF]

open access: yes, 2010
In this work we give an interpretation of a (s(d + 1) + 1)-term recurrence relation in terms of type II multiple orthogonal polynomials.We rewrite this recurrence relation in matrix form and we obtain a three-term recurrence relation for vector ...
Branquinho, Amílcar   +2 more
core   +1 more source

Artificial Intelligence for Advanced Functional Materials: Progress and Emerging Frontiers

open access: yesAdvanced Intelligent Systems, EarlyView.
Artificial intelligence is transforming the discovery of functional materials by linking synthesis, characterization, simulation, and design in unified workflows. Advances in machine learning, autonomous experimentation, and foundation models are accelerating innovation across energy, electronics, and biomedicine, while revealing new frontiers for ...
Cristiano Malica   +38 more
wiley   +1 more source

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