Results 111 to 120 of about 735 (173)

Thermal Weight Determination and Interstate Coupling in State-Averaged ADAPT-VQE. [PDF]

J Chem Theory Comput
Grimsley HR, Evangelista FA.
europepmc   +1 more source

Reclaimed Well Sites on Salt Affected Soils: Electrical Conductivity and Sodium Adsorption Ratio as Plant Community Response Indicators

Land Degradation &Development, EarlyView.
ABSTRACT Salt affected soils are common worldwide, resulting from natural causes and anthropogenic activities. Saline and sodic soils often occur in association with oil and gas production, impacting soil properties which can impede vegetation growth and development.
Laura Bony, Amalesh Dhar, Sarah R. Wilkinson, M. Anne Naeth   +3 more
wiley   +1 more source

Exploring Hückel Molecular Orbital Energies through Variational and Phase Estimation Quantum Algorithms. [PDF]

J Phys Chem Lett
Han DB, Hu KM, Lim HT, Kim HW.
europepmc   +1 more source

Recent Advances in Photonic Bound States in the Continuum: From Fundamentals to Engineering and Implementation

Laser &Photonics Reviews, EarlyView.
This review summarizes recent progress in meta‐photonics with a focus on bound states in the continuum (BICs) as a powerful platform for light confinement and control. It covers fundamental concepts, design strategies across optical regimes, symmetry breaking for practical quasi‐BICs, tunable and AI‐assisted BIC devices, and emerging applications in ...
Hafiz Saad Khaliq, Hak‐Rin Kim
wiley   +1 more source

Partial differential equations in data science. [PDF]

Philos Trans A Math Phys Eng Sci
Bertozzi AL, Drenska N, Latz J, Thorpe M.   +3 more
europepmc   +1 more source

Efficient First‐Principles Inverse Design of Nanolasers

Laser &Photonics Reviews, EarlyView.
This article introduces a first‐principles inverse‐design framework for nanolasers that directly incorporates nonlinear lasing physics. By unifying steady‐state ab‐initio laser theory (SALT) with topology optimization, it reveals how spatial hole burning, gain saturation, and cavity‐emitter coupling shape laser performance, enabling efficient discovery
Beñat Martinez de Aguirre Jokisch, Alexander Cerjan, Rasmus Ellebæk Christiansen, Jesper Mørk, Ole Sigmund, Steven G. Johnson   +5 more
wiley   +1 more source

A Variational Quantum Eigensolver Based on the Measurement Scheme Tailored to Multiband Tight-Binding Simulations. [PDF]

J Chem Theory Comput
Lee D, Ryu H.
europepmc   +1 more source

Challenges and Opportunities in Machine Learning for Light‐Emitting Polymers

Macromolecular Rapid Communications, EarlyView.
The performance of light‐emitting polymers emerges from coupled effects of chemical diversity, morphology, and exciton dynamics across multiple length scales. This Perspective reviews recent design strategies and experimental challenges, and discusses how machine learning can unify descriptors, data, and modeling approaches to efficiently navigate ...
Tian Tian, Yinyin Bao
wiley   +1 more source

Matrix-Free Inexact Preconditioning Techniques for Isogeometric Tensor-Product Discretizations. [PDF]

J Sci Comput
Mika MŁ, Hiemstra RR, Schillinger D.
europepmc   +1 more source

MatterMind: A User‐Friendly Material Design Platform Assisted by Large Language Model

Materials Genome Engineering Advances, EarlyView.
The lack of user‐friendly tool interfaces has restricted the popularization of data‐driven methods in scientific research. In this study, we present MatterMind, a user‐friendly, agentic interface that closes the loop between first‐principles computation, generative structure design, and large language model (LLM) analysis. ABSTRACT Machine learning and
Kaiyang Xu, Yujun Lu, Lifeng Liu, Lei Zhang   +3 more
wiley   +1 more source