Results 191 to 200 of about 1,022,620 (339)

Massively parallel symplectic algorithm for coupled magnetic spin dynamics and molecular dynamics [PDF]

, 2018
Julien Tranchida, Steven J. Plimpton, Pascal Thibaudeau, Aidan P. Thompson   +3 more
openalex   +1 more source

Accelerated Discovery of High Performance Ni3S4/Ni3Mo HER Catalysts via Bayesian Optimization

Advanced Functional Materials, EarlyView.
Integrated workflow accelerates the catalyst discovery of hydrogen evolution reaction via Bayesian optimization. An experiment‐trained surrogate model proposes synthesis conditions, guiding iterative refinement using electrochemical performance metrics.
Namuersaihan Namuersaihan, Zhiqiang Zhao, Oliver J. Conquest, Ying Shu, Haoyue Sun, Chunjing Su, Qi Cheng, Aloysius Soon, Catherine Stampfl, Jun Huang   +9 more
wiley   +1 more source

Parallel Algorithms for Unsupervised Tagging

Transactions of the Association for Computational Linguistics
Sujith Ravi, Sergei Vassilivitskii, Vibhor Rastogi   +2 more
doaj   +1 more source

Recursive spectral algorithms for automatic domain partitioning in parallel finite element analysis

, 1995
Shang‐Hsien Hsieh, Gláucio H. Paulino, John F. Abel   +2 more
openalex   +1 more source

Prenucleation Species Dictate Foreign Ion Incorporation in the Biomineral Precursor Amorphous Calcium Carbonate

Advanced Functional Materials, EarlyView.
ACC forms via aggregating prenucleation clusters that gatekeep its chemical composition. Ion identity steers the path: Ba and Sr substitute Ca in clusters, thereby inhibiting nucleation, with a dose‐dependent switch of Sr to induction. Mg partitions into Mg‐rich and Mg‐poor clusters; the latter form ACC, expelling Mg.
Qianyu Zhao, Patrick Duchstein, Benedikt Demmert, Thi Q. Nhi Dao, Krishnaveni Anjala, Evelyn Gruber, Franziska Gröhn, Dirk Zahn, Dorrit E. Jacob, Stephan E. Wolf   +9 more
wiley   +1 more source

Wall-L merge sort: A tunable and adaptive sorting algorithm for diverse computing environments. [PDF]

PLoS One
Rob MA, Hossen MZ, Hossen MK, Ali MM, Roy B.   +4 more
europepmc   +1 more source

Adaptive quadrature: Convergence of parallel and sequential algorithms [PDF]

, 1974
John R. Rice
openalex   +1 more source

Electrocatalytic Reduction of CO2 to Ethylene: Catalyst Design and Synchrotron‐Based Characterizations

Advanced Functional Materials, EarlyView.
This review evaluates strategies for electrochemical CO2 reduction to ethylene, focusing on copper‐based catalyst design and microenvironment modulation to achieve industrial‐grade performance. By leveraging operando synchrotron‐based characterizations, we provide a multiscale understanding of dynamic structural transformations and key reaction ...
Meng Zhang, Zuolong Chen, Yimin A. Wu
wiley   +1 more source

An accelerated framework for high-resolution X-ray holographic reconstruction. [PDF]

J Synchrotron Radiat
Hu J, Ji B, Hu Y, Wang L, Chang G, Shi J.   +5 more
europepmc   +1 more source

Artificial Intelligence as the Next Visionary in Liquid Crystal Research

Advanced Functional Materials, EarlyView.
The functions of AI in the research laboratory are becoming increasingly sophisticated, allowing the entire process of hypothesis formulation, material design, synthesis, experimental design, and reiterative testing to be automated. In our work, we conceive how the incorporation of AI in the laboratory environment will transform the role and ...
Mert O. Astam, Ouassim L'Karkouri, Danqing Liu   +2 more
wiley   +1 more source