Results 141 to 150 of about 935 (218)

The CP2K Program Package Made Simple. [PDF]

J Phys Chem B
Iannuzzi M, Wilhelm J, Stein F, Bussy A, Elgabarty H, Golze D, Hehn AS, Graml M, Marek S, Gökmen BS, Schran C, Forbert H, Khaliullin RZ, Kozhevnikov A, Taillefumier M, Meli R, Rybkin VV, Brehm M, Schade R, Schütt O, Pototschnig JV, Mirhosseini H, Knüpfer A, Marx D, Krack M, Hutter J, Kühne TD.   +26 more
europepmc   +1 more source

Green and Low‐Carbon Synthesis of Lithium Sulfide (Li2S): From Fundamental Mechanisms to Scalable Manufacturing for Next‐Generation Energy Storage

Advanced Science, EarlyView.
This review focuses on green synthesis routes for lithium sulfide (Li2S)—a key material for lithium–sulfur batteries and sulfide solid electrolytes, whose traditional carbothermal reduction remains energy‐intensive and unsustainable. Specifically examined routes include low‐temperature solid‐state reactions, magnesiothermal reduction, and solution ...
Aiping Peng, Xingtao Qi, Lingfeng Zhu, Ningrui Zhan, Yaohui Qu, Hui Li, Hai Zhang, Fan Wang, Ze Zhang, Xuewen Wang, Zhenyu Yang, Tianyi Ma   +11 more
wiley   +1 more source

Electrodynamics-based quantum gate optimization with born scattering. [PDF]

Sci Rep
Gautam K, Ahn CW.
europepmc   +1 more source

Lithium Niobate Electro‐Optic Photonic Processor for Variational Quantum Eigensolver

Advanced Science, EarlyView.
An integrated lithium‐niobate‐on‐insulator ququart processor implements an electro‐optically controlled photonic variational quantum eigensolver using single photons encoded in four path modes. Bell‐basis‐emulating ququart projective measurements reduce measurement settings while achieving chemical‐accuracy‐level molecular‐energy estimation.
Jinil Lee, Ui Joon Park, Minho Choi, Hyeong‐Soon Jang, Sunghyun Moon, Hyeon Hwang, Min‐Kyo Seo, Dae‐Hwan Ahn, Sang‐Wook Han, Yong‐Su Kim, Hyounghan Kwon, Hojoong Jung   +11 more
wiley   +1 more source

Toward the universality of the Caldeira-Leggett oscillator bath as a model for quantum environments I. [PDF]

Sci Rep
Halataei SMH.
europepmc   +1 more source

Interfacial Water Configurations: Evolution and Implications for Electrocatalysis

Advanced Science, EarlyView.
A comprehensive and mechanistic understanding of how interfacial water structures govern reaction pathways. This review aims to bridge the gap between unraveling the intricate role of water structures and establishing robust design principles for advanced catalysts.
Aoqi Wang, Yang Song, Lin Guo, Chenchen Weng, Yanxia Yuan, Chaoyu Li, Xue Yang, Wei Lin   +7 more
wiley   +1 more source

A Twist in Electronic Relaxation of Pyrimidine Nucleosides and Nucleotides: Impact of C5 Methylation on Nonadiabatic Transition and Photohydration Damage. [PDF]

J Am Chem Soc
Ghosh S, Obara Y, Jaiswal VK, Taddei M, Nenov A, Conti I, Garavelli M, Suzuki T.   +7 more
europepmc   +1 more source

A pH‐Switchable Cerium Single‐Atom Enzyme for Peri‐Implantitis Therapy via JAK‐STAT Signaling Axis‐Mediated Macrophage Reprogramming

Advanced Science, EarlyView.
A pH‐switchable cerium single‐atom enzyme is developed for stage‐specific peri‐implantitis therapy. Acidic conditions trigger antibacterial peroxidase‐like activity, whereas neutral conditions activate an antioxidant superoxide dismutase ‐ and catalase ‐like enzymatic relay. This microenvironment‐adaptive catalytic strategy suppresses the IL‐6/JAK‐STAT
Xiaomin Xia, Haojie Wu, Xingyun Li, Lining Liu, Kaiqing Song, Jinpei Cui, Jie Liu, Jiaxuan Yin, Emtiaz Ahmed, Yusuke Yamauchi, Xue Li   +10 more
wiley   +1 more source

Constraint coordinate-momentum phase space formulations for finite-state quantum systems: The relation between commutator variables and complex Stiefel manifolds. [PDF]

Fundam Res
Shang Y, Cheng X, Liu J.
europepmc   +1 more source

Unipolar Barrier Near‐Infrared 2D Photodetectors for 3D Image Sensors

Advanced Science, EarlyView.
A MoTe2/WSe2/Cl–SnSe2 unipolar barrier photodetector is demonstrated, in which the WSe2 layer effectively blocks majority‐carrier injection, yielding suppressed dark current and enhanced near‐infrared (NIR) sensing. The device achieves high detectivity, a wide linear dynamic range, and fast response under 1310 nm illumination, enabling high‐fidelity 3D
Jung Pyo Hong, Sang‐Jun Kim, Jisu Jang, Je‐Jun Lee, Seong‐Jun Han, Eungseon Yeon, Jung Woo Kim, Jongtae Ahn, Sang Yeon Kim, Hyun Woo Ko, Sunghyun Han, Seung Ah Lee, Paul Hongsuck Seo, Young‐Woo Suh, Kimoon Lee, Gunuk Wang, Dong‐Guang Zheng, Sunghee Hong, Sangin Hahn, Seon Kyu Yoon, Min‐Chul Park, Do Kyung Hwang   +21 more
wiley   +1 more source