Results 101 to 110 of about 25,273 (241)

Performance comparison of the CRAY-2 and CRAY X-MP/416 supercomputers

, 1990
Margaret L. Simmons, Harvey J. Wasserman
openalex   +2 more sources

Scalable3-BO: Big Data Meets HPC - A Scalable Asynchronous Parallel High-Dimensional Bayesian Optimization Framework on Supercomputers [PDF]

, 2021
Anh Tran
openalex   +1 more source

New Insights in the Electrochemical Stability of Various Solid Polymer Electrolytes/Layered Positive Metal‐Oxide Electrode Interfaces in Solid‐State Lithium‐Ion Battery

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
In this work, the electrochemical compatibility of a broad range of solid polymer electrolytes with two Ni‐rich nickel–manganese–cobalt cathodes (NMC622, NMC811) is investigated through a hybrid computational and experimental approach. The relative reactivity of NMC811 to NMC622 is demonstrated, as well as the role of Li cations in the electrolyte ...
Alexandre Roelens, Ashish Raj, Meron D. Tuemay, Lieven Bekaert, Xinhua Zhu, Mats Meeusen, Frank De Proft, Jean‐François Gohy, Annick Hubin, Mesfin H. Mamme   +9 more
wiley   +1 more source

Strong Nonradiative Recombination Induced by Pronounced Lone‐Pair Electron Expression Following Deprotonation in Aziridinium Lead Iodide Perovskites

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
The transition from linear to cyclic organic cations promotes deprotonation and activates VH(N) defects with pronounced lone‐pair electron activity, thereby inducing severe local distortions and highly efficient nonradiative recombination centers. This work unveils a direct structure–defect–performance correlation and proposes design strategies for the
Qingshan Bao, Linyu Bai, Honghe Zhao, Yanting Qin, Xian Zhao, Yanlu Li   +5 more
wiley   +1 more source

Constructing Cu/Cu2O Heterogeneous Interface for Efficient Urea Electrosynthesis

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
In this study, a Cu/Cu2O heterogeneous interface with dual active sites is prepared for electrocatalytic CO2 and NO3−$$ {\mathrm{NO}}_3^{-} $$ coupling to urea. The catalyst shows high yield rates of 1156.63 mmol g−1 h−1 and FE of 29.67% at −1.0 V (vs RHE), which is significantly higher than Cu and Cu2O, highlighting the advantages of heterogeneous ...
Jiani Liu, Peiyue Jin, Yujing Liu, Tian Cheng, Jianlong Wei, Jingjing Liu, Yiqiong Zhang, Shuangyin Wang   +7 more
wiley   +1 more source

Elucidating the origin of open‐circuit voltage in ternary organic solar cells with a nonfullerene and a fullerene acceptor

InfoMat, EarlyView.
Fullerenes tend to alloy with polymer:nonfullerene acceptor hosts, yielding composition‐dependent increases in open‐circuit voltage while recombination remains governed by the charge‐transfer state energy and is independent of the nature of the third component.
Dominic Blätte, Marcella Günther, Carlito S. Ponseca Jr., Andreas Weis, Rik Hooijer, Lucie Quincke, Miguel A. T. Cachafeiro, Wolfgang Tress, Jose D. Perea, Salvador Leon, Ali Shuaib, Pavel Chabera, Tönu Pullerits, Thomas Bein, Tayebeh Ameri   +14 more
wiley   +1 more source

Parallel IO performance and scalability study on the PRACE CURIE supercomputer.

, 2012
Philippe Wautelet, Pierre Kestener
openalex   +1 more source

Tuning VASP (ver. 6.2.1) performance on AMD supercomputers

, 2022
Dominik Legut, S. Arapan
openalex   +1 more source

TopoMAS: Large Language Model Driven Topological Materials Multi‐Agent System

Materials Genome Engineering Advances, EarlyView.
TopoMAS is an interactive multi‐agent framework that revolutionizes topological materials discovery through human–AI collaborative intelligence. The system integrates natural language processing, knowledge retrieval from literature and databases, crystal structure generation, and automated first‐principles calculations within a unified workflow.
Baohua Zhang, Xin Li, Huangchao Xu, Zhong Jin, Quansheng Wu, Ce Li   +5 more
wiley   +1 more source

Using silicon and gallium arsenide technologies for new supercomputer design

, 1990
I.D. Robertson
openalex   +2 more sources