Results 151 to 160 of about 87,905,159 (205)

A Practical Guide to First‐Principles Calculations for Pseudocapacitive Materials: From Electrochemical Experiments to Atomistic Understanding

open access: yesChemElectroChem, Volume 13, Issue 20, 16 October 2026.
Electrochemical experiments reveal what happens, whereas first principles calculations explain why. Emerging computational electrochemistry is bridging these perspectives, enabling quantitative understanding of electrode/electrolyte interfaces and enabling the rational design of next‐generation energy storage materials.
Kenji Oqmhula, Ryo Maezono, Kenta Hongo
wiley   +1 more source

A Unified Block‐Modal Framework for Inverse Source Problems in Heat and Mass Transfer

open access: yesInternational Journal for Numerical Methods in Engineering, Volume 127, Issue 19, 15 October 2026.
ABSTRACT This work presents a unified block–modal framework for inverse source identification in linear diffusive problems arising in heat and mass transfer. Starting from a general parabolic model with mixed boundary operators, the Classical Integral Transform Technique is employed to project the dynamics onto an orthonormal eigenbasis, yielding a ...
André J. P. de Oliveira   +5 more
wiley   +1 more source

PyOrbb—Automated Analyses of Orbital‐Interaction Mechanisms

open access: yesJournal of Computational Chemistry, Volume 47, Issue 26, October 5, 2026.
PyOrbb is an open‐source program that automates fragment‐based orbital interaction analysis from ADF calculations. It identifies the chemically most significant attractive and repulsive interactions and presents them as publication‐ready MO diagrams.
Yuman Hordijk   +8 more
wiley   +1 more source

An optimal Petrov-Galerkin framework for operator networks. [PDF]

open access: yesComput Methods Appl Mech Eng
Charles P   +9 more
europepmc   +1 more source

StackingNet: Collective Inference Across Independent AI Foundation Models

open access: yesAdvanced Science, Volume 13, Issue 55, 5 October 2026.
ABSTRACT Artificial intelligence (AI) built on large foundation models has transformed language understanding, computer vision, and reasoning, yet these systems remain isolated and cannot readily share their capabilities. Coordinating the complementary strengths of independently developed, black‐box foundation models is essential for trustworthy ...
Siyang Li   +4 more
wiley   +1 more source

Machine Learning‐Enhanced Random Matrix Theory Design for Human Immunodeficiency Virus Vaccine Development

open access: yesAdvanced Intelligent Discovery, Volume 2, Issue 5, October 2026.
This study integrates random matrix theory (RMT) and principal component analysis (PCA) to improve the identification of correlated regions in HIV protein sequences for vaccine design. PCA validation enhances the reliability of RMT‐derived correlations, particularly in small‐sample, high‐dimensional datasets, enabling more accurate detection of ...
Mariyam Siddiqah   +3 more
wiley   +1 more source

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