Results 131 to 140 of about 5,709 (252)

An exciting Approach to Theoretical Spectroscopy

Advanced Science, EarlyView.
ABSTRACT Theoretical spectroscopy, and more generally, electronic‐structure theory, are powerful concepts for describing the complex many‐body interactions in materials. They cover methods from ground‐state properties to lattice excitations and light‐matter interaction, including time‐resolved variants.
Martí Raya‐Moreno, Alexander Buccheri, Noah Alexy Dasch, Nasrin Farahani, Ignacio Gonzalez Oliva, Andris Gulans, Seokhyun Hong, Manoar Hossain, Hannah Kleine, Martin Kuban, Sven Lubeck, Benedikt Maurer, Pasquale Pavone, Fabian Peschel, Daria Popova‐Gorelova, Lu Qiao, Elias Richter, Santiago Rigamonti, Ronaldo Rodrigues Pela, Maximilian Schebek, Kshitij Sinha, Daniel T. Speckhard, Jan Stutz, Sebastian Tillack, Dmitry Tumakov, Jānis Užulis, Mara Voiculescu, Cecilia Vona, Mao Yang, Claudia Draxl   +29 more
wiley   +1 more source

Polarization Dynamics in Ferroelectrics: Insights Enabled by Machine Learning Molecular Dynamics

Advanced Science, EarlyView.
Machine learning molecular dynamics is presented as a route to capture polarization switching, domain wall kinetics, topological polar textures, and polar mechanical coupling beyond the limits of conventional atomistic methods. This Perspective surveys recent progress and identifies key methodological directions, including long‐range electrostatics ...
Dongyu Bai, Ri He, Junxian Liu, Liangzhi Kou   +3 more
wiley   +1 more source

Non‐Noble Metal Nanocatalysts for Hydrogen Evolution

Advanced Science, EarlyView.
Recent overviews and latest developments of diverse classes of non‐noble catalysts for application toward high‐performance photocatalysis, thermocatalytic steam reforming, and electrocatalysis. Toward sustainability objectives, several advanced characterization tools in combination with the latest breakthroughs in machine learning for material ...
Lina Jaya Diguna, Gede Herry Arum Wijaya, Md Abdul Kuddus Sheikh, Tobias Haposan, Fidelis Stefanus Hubertson Simanjuntak, Arramel Arramel, Muhammad Danang Birowosuto, Konstantin Sergeevich Novoselov   +7 more
wiley   +1 more source

Computation‐Guided Tunnel Engineering Enhances O2 Transport and H2O2 Resistance of Fe(II)/α‐Ketoglutarate‐Dependent Dioxygenases

Advanced Science, EarlyView.
This study presents a computational tunnel engineering strategy in Fe(II)/α‐ketoglutarate‐dependent dioxygenases (αKGDs) to enhance oxygen (O2) transport, an essential molecule for αKGDs, and limit hydrogen peroxide (H2O2) entry, an inhibitor from the αKG supply system.
Huan Liu, Lunjie Wu, Liying Mao, Songyin Zhao, Hu Liu, Shiyi Xin, Donglin Zhao, Jie Gu, Yan Xu, Xinye Wang, Yao Nie   +10 more
wiley   +1 more source

Rapid In Vitro Pathological Diagnosis of Glioma Using Dual‐Color Quantum Dot Probes for Precise Intraoperative Resection

Advanced Science, EarlyView.
Glioma resection surgery is challenging because of the infiltrative growth of the tumor into nearby tissue and the different surgical requirements for gliomas with different mutation types. To improve the precision and effectiveness of glioma resection, this study developed a new imaging probe that enables the tumor boundary and mutation status to be ...
Dongdong Wu, Chenxuan Yang, Yuanbin Wu, Minghang Liu, Yizhi Zhang, Yuang Cai, Yibo Zhang, Jimei Chi, Hengchao Ma, Ding Zhang, Chenqing Liu, Meng Su, Guochen Sun   +12 more
wiley   +1 more source

Radiation Resilient Synthetic Antiferromagnets‐Based Neuromorphic Device for Sea Surface Temperature Reconstruction

Advanced Science, EarlyView.
By leveraging strong antiferromagnetic coupling, radiation‐tolerant synthetic antiferromagnetic synaptic devices are developed. Their intrinsic nonlinearity emulates neuronal activation, while linear and symmetric conductance modulation mimics synaptic plasticity.
Mingxu Song, Jiahao Liu, Ruisheng Hu, Teng Xu, Aihua Tang, Zhihong Zhu   +5 more
wiley   +1 more source

Anisotropic Memristive Switching in NbOCl2 Enabled by Directional Oxygen Ion Migration

Advanced Science, EarlyView.
This study investigates strongly orientation‐dependent memristive switching in anisotropic NbOCl2, observed exclusively along the in‐plane c‐axis. The switching originates from direction‐selective oxygen‐ion migration and vacancy propagation that modulate the Pd/NbOCl2 Schottky barrier, enabling short‐term plasticity.
Caokun Wang, Yun Ji, Sanchali Mitra, Yufei Shi, Haofei Zheng, Yee Sin Ang, Kah‐Wee Ang   +6 more
wiley   +1 more source

An Introduction to the Quantum Approximate Optimization Algorithm

The Quantum Approximate Optimization Algorithm (QAOA) is a promising variational quantum algorithm introduced to tackle classically intractable combinatorial optimization problems. This tutorial offers a comprehensive, first-principles introduction to QAOA and its properties, focusing on its application to Quadratic and Polynomial Unconstrained Binary ...
openaire   +2 more sources

Time Resolved DNA Barcodes for Information Encoding and Dynamic Encryption

Advanced Science, EarlyView.
This study establishes a molecular information platform based on DNA Temporal Barcodes. Information is encoded through combinations of DNA tags with distinct retention times, while dynamic encryption is achieved through a key‐triggered DNA ligation.
Likang Chu, Haixia Wang, Haiyan Gao, Sixian Chen, Zilong Li, Zhanyihao Hao, Lei He, Da Han   +7 more
wiley   +1 more source