Results 171 to 180 of about 3,212 (267)

Acceleration of the Relativistic Dirac-Kohn-Sham Method with GPU: A Pre-Exascale Implementation of BERTHA and PyBERTHA. [PDF]

J Chem Theory Comput
Storchi L, Bellentani L, Hammond J, Orlandini S, Pacifici L, Antonini N, Belpassi L.   +6 more
europepmc   +1 more source

High‐Throughput Data Generation and Transfer Learning Enabled Microstructure‐Property Integrated Design of Nickel‐Based Powder Metallurgy Superalloy

Advanced Science, EarlyView.
An integrated transfer learning framework integrates CALPHAD simulations, diffusion‐multiple experiments, and literature data to predict long‐term microstructural stability and short‐term mechanical properties of Ni‐based powder metallurgy superalloys. Based on these model predictions, a high‐performance, low‐density alloy, USTB‐PM750, is designed from
Zixin Li, Hongtao Zhang, Zichao Peng, Yuheng Zhang, Qian Lv, Yihuan Cao, Xuqing Wang, Huadong Fu, Jianxin Xie   +8 more
wiley   +1 more source

Validating open-source data on fatal police shootings against self-reports from a national sample of police agencies. [PDF]

Inj Epidemiol
Koper CS, Baas G, Taylor BG, Liu W, Sheridan-Johnson J.   +4 more
europepmc   +1 more source

Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks

Advanced Science, EarlyView.
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu, Longfei Lv, Fan Zhang, Si Zhou, Weiwei Gao, Jijun Zhao   +5 more
wiley   +1 more source

The principles behind equivariant neural networks for physics and chemistry. [PDF]

Proc Natl Acad Sci U S A
Kondor R.
europepmc   +1 more source

Lyophilized Synthetic Platelets: In Vitro Characterization and in Vivo Evaluation in Mouse Thrombocytopenia Model

Advanced Science, EarlyView.
ABSTRACT Platelet transfusions to treat bleeding complications use donor‐derived platelets stored at room‐temperature, that have a shelf‐life of only 5–7 days due to bacterial contamination risks. Cold‐stored and freeze‐dried platelets are being investigated for extending shelf‐life, but these still have the inherent challenge of donor‐dependency.
Ujjal Didar Singh Sekhon, Dante Disharoon, Shrijal S. Desai, Baylee Traylor, Emily Gahagan, Emma Quill, Kristin Aldridge, Norman F. Luc, Sonali Rohiwal, Shruti Raghunathan, Rebecca Ahn, Sana Syed, Alexander Dornback, Bipin Chakravarthy Paruchuri, Andrew Ditto, Susan M. Shea, Philip C. Spinella, Matthew D. Neal, Michael A. Bruckman, Christa L. Pawlowski, Anirban Sen Gupta   +20 more
wiley   +1 more source

Building a continuous benchmarking ecosystem in bioinformatics. [PDF]

PLoS Comput Biol
Mallona I, Soneson C, Carrillo B, Lütge A, Incicau D, Gerber R, Sonrel A, Robinson MD.   +7 more
europepmc   +1 more source

Ambipolar Organic–Inorganic Heterostructure Transistor Array for Integrated Visual Information Processing

Advanced Science, EarlyView.
We present an organic–inorganic heterostructure transistor array for neuromorphic computing, achieving 95.6% MNIST accuracy and 1.2 fJ per operation, with dynamic spatiotemporal encoding and precise vehicle direction detection under combined optical and electrical stimulation.
Wen‐Min Zhong, Wenbin Zhang, Yu‐Xiang Zeng, JiYu Zhao, Ziqi Jia, Loganathan Veeramuthu, Guanglong Ding, Yan Yan, Meng Zhang, Su‐Ting Han, Vellaisamy A. L. Roy, Fengyun Wang, Chi‐Ching Kuo, Ye Zhou   +13 more
wiley   +1 more source

Reprogramming ribosomes during viral protein synthesis. [PDF]

Biochem (Lond)
Betts J, Hill CH, Brierley I.
europepmc   +1 more source

Mass‐Transport–Engineered CCM Architecture Employing MPL‐Free Carbon Paper and Graphene‐Coated Ni Foam Channels for High‐Temperature PEM Fuel Cells

Advanced Science, EarlyView.
A CCM‐based architectural strategy is introduced for high‐temperature PEM fuel cells, enabling MPL‐free carbon paper gas diffusion layers via decal‐transfer processing. By co‐engineering the CCM, GDL, and a G‐foam flow field, oxygen transport is enhanced while phosphoric‐acid leakage is suppressed, resulting in high power density and stable operation ...
Seongmin Cho, Songi Oh, Mingyu Kim, Jung Hwa Choi, Sunjae Hwang, Ji‐Hoon Jang, Segeun Jang   +6 more
wiley   +1 more source